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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.36
Van der Waals volume 157.43
Polar Surface Area 0
Van der Waals Surface Area 226.77
Refractivity 51.17

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ELEMENTAL PROPERTIESExact Mass 177.994
Isotope Formula C6H10S3
Dot Disconnected Formula C6H10S3
Dot Disconnected Isotope Formula C6H10S3
Composition C (40.41%), H (5.65%), S (53.94%)
Isotope Composition C (40.41%), H (5.65%), S (53.94%)
Donor Sites 0
Donor Count 0
Acceptor Sites 0
Acceptor Count 0


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TOPOLOGICAL PROPERTIESAtom Count19
Aliphatic Atom Count 9
Aliphatic Bond Count 8
Aromatic Bond Count 0
Asymmetric Atom Count 0
Bond Count 18
Chain Atom Count 9
Chain Bond Count 8
Chiral Center Count 0
Ring Atom Count 0
Ring Bond Count 0
Rotatable Bond Count 6
Stereo Double Bond Count 0
Aliphatic Ring Count 0
Aromatic Ring Count 0
Carbo Ring Count 0
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 0
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 0
Largest Ring System Size 0
Ring Count 0
Smallest Ring Size 0
Smallest Ring System Size 0

 






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