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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP -1.23
Van der Waals volume 267.99
Polar Surface Area 145.91
Van der Waals Surface Area 413.21
Refractivity 73.37

Top
ELEMENTAL PROPERTIESExact Mass 328.079
Isotope Formula C14H16O9
Dot Disconnected Formula C14H16O9
Dot Disconnected Isotope Formula C14H16O9
Composition C (51.22%), H (4.91%), O (43.86%)
Isotope Composition C (51.22%), H (4.91%), O (43.86%)
Donor Sites 5
Donor Count 5
Acceptor Sites 9
Acceptor Count 8


Top
TOPOLOGICAL PROPERTIESAtom Count39
Aliphatic Atom Count 17
Aliphatic Bond Count 19
Aromatic Bond Count 6
Asymmetric Atom Count 5
Bond Count 41
Chain Atom Count 9
Chain Bond Count 9
Chiral Center Count 5
Ring Atom Count 14
Ring Bond Count 16
Rotatable Bond Count 2
Stereo Double Bond Count 0
Aliphatic Ring Count 2
Aromatic Ring Count 1
Carbo Ring Count 1
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 1
Fused Aliphatic Ring Count 2
Fused Aromatic Ring Count 0
Fused Ring Count 3
Hetero Ring Count 2
Heteroaliphatic Ring Count 2
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 3
Ring Count 3
Smallest Ring Size 6
Smallest Ring System Size 3

 






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