NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
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CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 2.77
Van der Waals volume 241.92
Polar Surface Area 134.52
Van der Waals Surface Area 365.67
Refractivity 86.09

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ELEMENTAL PROPERTIESExact Mass 338.019
Isotope Formula C15H11ClO7
Dot Disconnected Formula C15H11O7.Cl
Dot Disconnected Isotope Formula C15H11O7.Cl
Composition C (53.19%), H (3.27%), Cl (10.47%), O (33.07%)
Isotope Composition C (53.19%), H (3.27%), Cl (10.47%), O (33.07%)
Donor Sites 6
Donor Count 6
Acceptor Sites 6
Acceptor Count 6


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TOPOLOGICAL PROPERTIESAtom Count34
Aliphatic Atom Count 7
Aliphatic Bond Count 7
Aromatic Bond Count 17
Asymmetric Atom Count 0
Bond Count 35
Chain Atom Count 7
Chain Bond Count 7
Chiral Center Count 0
Ring Atom Count 16
Ring Bond Count 17
Rotatable Bond Count 1
Stereo Double Bond Count 0
Aliphatic Ring Count 0
Aromatic Ring Count 3
Carbo Ring Count 2
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 2
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 2
Fused Ring Count 2
Hetero Ring Count 1
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 1
Largest Ring Size 6
Largest Ring System Size 2
Ring Count 3
Smallest Ring Size 6
Smallest Ring System Size 1

 






Copyright © 2012. Subhash M. Agagrwal. All Rights Reserved.