NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 1.3
Van der Waals volume 134.19
Polar Surface Area 36.02
Van der Waals Surface Area 217.76
Refractivity 43.96

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ELEMENTAL PROPERTIESExact Mass 147.068
Isotope Formula C9H9NO
Dot Disconnected Formula C9H9NO
Dot Disconnected Isotope Formula C9H9NO
Composition C (73.45%), H (6.16%), N (9.52%), O (10.87%)
Isotope Composition C (73.45%), H (6.16%), N (9.52%), O (10.87%)
Donor Sites 2
Donor Count 2
Acceptor Sites 1
Acceptor Count 1


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TOPOLOGICAL PROPERTIESAtom Count20
Aliphatic Atom Count 2
Aliphatic Bond Count 2
Aromatic Bond Count 10
Asymmetric Atom Count 0
Bond Count 21
Chain Atom Count 2
Chain Bond Count 2
Chiral Center Count 0
Ring Atom Count 9
Ring Bond Count 10
Rotatable Bond Count 1
Stereo Double Bond Count 0
Aliphatic Ring Count 0
Aromatic Ring Count 2
Carbo Ring Count 1
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 1
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 2
Smallest Ring Size 5
Smallest Ring System Size 2

 






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