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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 2.78
Van der Waals volume 201.92
Polar Surface Area 46.53
Van der Waals Surface Area 321.22
Refractivity 62.84

Top
ELEMENTAL PROPERTIESExact Mass 218.094
Isotope Formula C13H14O3
Dot Disconnected Formula C13H14O3
Dot Disconnected Isotope Formula C13H14O3
Composition C (71.54%), H (6.47%), O (21.99%)
Isotope Composition C (71.54%), H (6.47%), O (21.99%)
Donor Sites 1
Donor Count 1
Acceptor Sites 4
Acceptor Count 3


Top
TOPOLOGICAL PROPERTIESAtom Count30
Aliphatic Atom Count 10
Aliphatic Bond Count 11
Aromatic Bond Count 6
Asymmetric Atom Count 0
Bond Count 31
Chain Atom Count 6
Chain Bond Count 6
Chiral Center Count 0
Ring Atom Count 10
Ring Bond Count 11
Rotatable Bond Count 1
Stereo Double Bond Count 0
Aliphatic Ring Count 1
Aromatic Ring Count 1
Carbo Ring Count 1
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 1
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 0
Fused Ring Count 2
Hetero Ring Count 1
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 2
Ring Count 2
Smallest Ring Size 6
Smallest Ring System Size 2

 






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