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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 1.82
Van der Waals volume 133.98
Polar Surface Area 20.23
Van der Waals Surface Area 210.26
Refractivity 43.19

 Top
ELEMENTAL PROPERTIESExact Mass 134.073
Isotope Formula C9H10O
Dot Disconnected Formula C9H10O
Dot Disconnected Isotope Formula C9H10O
Composition C (80.56%), H (7.51%), O (11.92%)
Isotope Composition C (80.56%), H (7.51%), O (11.92%)
Donor Sites 1
Donor Count 1
Acceptor Sites 1
Acceptor Count 1


Top
TOPOLOGICAL PROPERTIESAtom Count20
Aliphatic Atom Count 4
Aliphatic Bond Count 4
Aromatic Bond Count 6
Asymmetric Atom Count 0
Bond Count 20
Chain Atom Count 4
Chain Bond Count 4
Chiral Center Count 0
Ring Atom Count 6
Ring Bond Count 6
Rotatable Bond Count 2
Stereo Double Bond Count 1
Aliphatic Ring Count 0
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 0
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 1
Ring Count 1
Smallest Ring Size 6
Smallest Ring System Size 1

 






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