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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 2.76
Van der Waals volume 135.94
Polar Surface Area 0
Van der Waals Surface Area 201.52
Refractivity 45.42

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ELEMENTAL PROPERTIESExact Mass 146.022
Isotope Formula C6H10S2
Dot Disconnected Formula C6H10S2
Dot Disconnected Isotope Formula C6H10S2
Composition C (49.27%), H (6.89%), S (43.84%)
Isotope Composition C (49.27%), H (6.89%), S (43.84%)
Donor Sites 0
Donor Count 0
Acceptor Sites 0
Acceptor Count 0


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TOPOLOGICAL PROPERTIESAtom Count18
Aliphatic Atom Count 8
Aliphatic Bond Count 7
Aromatic Bond Count 0
Asymmetric Atom Count 0
Bond Count 17
Chain Atom Count 8
Chain Bond Count 7
Chiral Center Count 0
Ring Atom Count 0
Ring Bond Count 0
Rotatable Bond Count 5
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.