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

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 1.94
Van der Waals volume 150.52
Polar Surface Area 39.44
Van der Waals Surface Area 221.69
Refractivity 50.39

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ELEMENTAL PROPERTIESExact Mass 186.032
Isotope Formula C11H6O3
Dot Disconnected Formula C11H6O3
Dot Disconnected Isotope Formula C11H6O3
Composition C (70.97%), H (3.25%), O (25.78%)
Isotope Composition C (70.97%), H (3.25%), O (25.78%)
Donor Sites 0
Donor Count 0
Acceptor Sites 2
Acceptor Count 1


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TOPOLOGICAL PROPERTIESAtom Count20
Aliphatic Atom Count 1
Aliphatic Bond Count 1
Aromatic Bond Count 15
Asymmetric Atom Count 0
Bond Count 22
Chain Atom Count 1
Chain Bond Count 1
Chiral Center Count 0
Ring Atom Count 13
Ring Bond Count 15
Rotatable Bond Count 0
Stereo Double Bond Count 0
Aliphatic Ring Count 0
Aromatic Ring Count 3
Carbo Ring Count 1
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 1
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 3
Fused Ring Count 3
Hetero Ring Count 2
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 2
Largest Ring Size 6
Largest Ring System Size 3
Ring Count 3
Smallest Ring Size 5
Smallest Ring System Size 3

 






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