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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.74
Van der Waals volume 214.73
Polar Surface Area 26.3
Van der Waals Surface Area 314.25
Refractivity 74.59

 Top
ELEMENTAL PROPERTIESExact Mass 299.979
Isotope Formula C15H9BrO2
Dot Disconnected Formula C15H9BrO2
Dot Disconnected Isotope Formula C15H9BrO2
Composition C (59.83%), H (3.01%), Br (26.53%), O (10.63%)
Isotope Composition C (59.83%), H (3.01%), Br (26.53%), O (10.63%)
Donor Sites 0
Donor Count 0
Acceptor Sites 3
Acceptor Count 2


Top
TOPOLOGICAL PROPERTIESAtom Count27
Aliphatic Atom Count 2
Aliphatic Bond Count 3
Aromatic Bond Count 17
Asymmetric Atom Count 0
Bond Count 29
Chain Atom Count 2
Chain Bond Count 3
Chiral Center Count 0
Ring Atom Count 16
Ring Bond Count 17
Rotatable Bond Count 1
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.