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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 0.18
Van der Waals volume 172
Polar Surface Area 41.13
Van der Waals Surface Area 218.11
Refractivity 63.91

 Top
ELEMENTAL PROPERTIESExact Mass 198.079
Isotope Formula C12H10N2O
Dot Disconnected Formula C12H10N2O
Dot Disconnected Isotope Formula C12H10N2O
Composition C (72.71%), H (5.08%), N (14.13%), O (8.07%)
Isotope Composition C (72.71%), H (5.08%), N (14.13%), O (8.07%)
Donor Sites 2
Donor Count 2
Acceptor Sites 4
Acceptor Count 3


Top
TOPOLOGICAL PROPERTIESAtom Count25
Aliphatic Atom Count 2
Aliphatic Bond Count 2
Aromatic Bond Count 15
Asymmetric Atom Count 0
Bond Count 27
Chain Atom Count 2
Chain Bond Count 2
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.