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

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.33
Van der Waals volume 232.59
Polar Surface Area 97.99
Van der Waals Surface Area 341.48
Refractivity 74.8

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ELEMENTAL PROPERTIESExact Mass 272.068
Isotope Formula C15H12O5
Dot Disconnected Formula C15H12O5
Dot Disconnected Isotope Formula C15H12O5
Composition C (66.17%), H (4.44%), O (29.38%)
Isotope Composition C (66.17%), H (4.44%), O (29.38%)
Donor Sites 4
Donor Count 4
Acceptor Sites 6
Acceptor Count 5


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TOPOLOGICAL PROPERTIESAtom Count32
Aliphatic Atom Count 8
Aliphatic Bond Count 9
Aromatic Bond Count 12
Asymmetric Atom Count 0
Bond Count 33
Chain Atom Count 8
Chain Bond Count 9
Chiral Center Count 0
Ring Atom Count 12
Ring Bond Count 12
Rotatable Bond Count 3
Stereo Double Bond Count 1
Aliphatic Ring Count 0
Aromatic Ring Count 2
Carbo Ring Count 2
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 2
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 0
Fused Ring Count 0
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 1
Ring Count 2
Smallest Ring Size 6
Smallest Ring System Size 1

 






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