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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 1.55
Van der Waals volume 204.4
Polar Surface Area 67.51
Van der Waals Surface Area 314.36
Refractivity 64.65

 Top
ELEMENTAL PROPERTIESExact Mass 242.058
Isotope Formula C14H10O4
Dot Disconnected Formula C14H10O4
Dot Disconnected Isotope Formula C14H10O4
Composition C (69.42%), H (4.16%), O (26.42%)
Isotope Composition C (69.42%), H (4.16%), O (26.42%)
Donor Sites 1
Donor Count 1
Acceptor Sites 5
Acceptor Count 3


Top
TOPOLOGICAL PROPERTIESAtom Count28
Aliphatic Atom Count 7
Aliphatic Bond Count 9
Aromatic Bond Count 11
Asymmetric Atom Count 1
Bond Count 30
Chain Atom Count 5
Chain Bond Count 5
Chiral Center Count 1
Ring Atom Count 13
Ring Bond Count 15
Rotatable Bond Count 1
Stereo Double Bond Count 0
Aliphatic Ring Count 1
Aromatic Ring Count 2
Carbo Ring Count 2
Carboaliphatic Ring Count 1
Carboaromatic Ring Count 1
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 0
Fused Ring Count 3
Hetero Ring Count 1
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 1
Largest Ring Size 6
Largest Ring System Size 3
Ring Count 3
Smallest Ring Size 5
Smallest Ring System Size 3

 






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