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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 2
Van der Waals volume 164.37
Polar Surface Area 28.68
Van der Waals Surface Area 263.08
Refractivity 55.91

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ELEMENTAL PROPERTIESExact Mass 182.084
Isotope Formula C12H10N2
Dot Disconnected Formula C12H10N2
Dot Disconnected Isotope Formula C12H10N2
Composition C (79.1%), H (5.53%), N (15.37%)
Isotope Composition C (79.1%), H (5.53%), N (15.37%)
Donor Sites 1
Donor Count 1
Acceptor Sites 1
Acceptor Count 1


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TOPOLOGICAL PROPERTIESAtom Count24
Aliphatic Atom Count 1
Aliphatic Bond Count 1
Aromatic Bond Count 15
Asymmetric Atom Count 0
Bond Count 26
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.