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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 1.08
Van der Waals volume 219.5
Polar Surface Area 64.35
Van der Waals Surface Area 325.3
Refractivity 162.86

 Top
ELEMENTAL PROPERTIESExact Mass 266.069
Isotope Formula C15H10N2O3
Dot Disconnected Formula C15H10N2O3
Dot Disconnected Isotope Formula C15H10N2O3
Composition C (67.67%), H (3.79%), N (10.52%), O (18.03%)
Isotope Composition C (67.67%), H (3.79%), N (10.52%), O (18.03%)
Donor Sites 1
Donor Count 1
Acceptor Sites 5
Acceptor Count 4


Top
TOPOLOGICAL PROPERTIESAtom Count30
Aliphatic Atom Count 4
Aliphatic Bond Count 4
Aromatic Bond Count 19
Asymmetric Atom Count 0
Bond Count 33
Chain Atom Count 4
Chain Bond Count 4
Chiral Center Count 0
Ring Atom Count 16
Ring Bond Count 19
Rotatable Bond Count 1
Stereo Double Bond Count 0
Aliphatic Ring Count 0
Aromatic Ring Count 4
Carbo Ring Count 1
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 1
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 4
Fused Ring Count 4
Hetero Ring Count 3
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 3
Largest Ring Size 6
Largest Ring System Size 4
Ring Count 4
Smallest Ring Size 5
Smallest Ring System Size 4

 






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