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

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 0.72
Van der Waals volume 135.22
Polar Surface Area 97.99
Van der Waals Surface Area 206.12
Refractivity 39.26

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ELEMENTAL PROPERTIESExact Mass 170.022
Isotope Formula C7H6O5
Dot Disconnected Formula C7H6O5
Dot Disconnected Isotope Formula C7H6O5
Composition C (49.42%), H (3.55%), O (47.02%)
Isotope Composition C (49.42%), H (3.55%), O (47.02%)
Donor Sites 4
Donor Count 4
Acceptor Sites 6
Acceptor Count 5


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TOPOLOGICAL PROPERTIESAtom Count18
Aliphatic Atom Count 6
Aliphatic Bond Count 6
Aromatic Bond Count 6
Asymmetric Atom Count 0
Bond Count 18
Chain Atom Count 6
Chain Bond Count 6
Chiral Center Count 0
Ring Atom Count 6
Ring Bond Count 6
Rotatable Bond Count 1
Stereo Double Bond Count 0
Aliphatic Ring Count 0
Aromatic Ring Count 1
Carbo Ring Count 1
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 1
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 1
Smallest Ring Size 6
Smallest Ring System Size 1

 






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