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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 2.22
Van der Waals volume 252.44
Polar Surface Area 124.29
Van der Waals Surface Area 0
Refractivity 92.34

 Top
ELEMENTAL PROPERTIESExact Mass 301.071
Isotope Formula C16H13O6
Dot Disconnected Formula C16H13O6
Dot Disconnected Isotope Formula C16H13O6
Composition C (63.79%), H (4.35%), O (31.86%)
Isotope Composition C (63.79%), H (4.35%), O (31.86%)
Donor Sites 0
Donor Count 0
Acceptor Sites 0
Acceptor Count 0


Top
TOPOLOGICAL PROPERTIESAtom Count35
Aliphatic Atom Count 6
Aliphatic Bond Count 7
Aromatic Bond Count 17
Asymmetric Atom Count 0
Bond Count 37
Chain Atom Count 6
Chain Bond Count 7
Chiral Center Count 0
Ring Atom Count 16
Ring Bond Count 17
Rotatable Bond Count 2
Stereo Double Bond Count 0
Aliphatic Ring Count 0
Aromatic Ring Count 3
Carbo Ring Count 2
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 2
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 3
Smallest Ring Size 6
Smallest Ring System Size 1

 






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