NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
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CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 4.34
Van der Waals volume 185.46
Polar Surface Area 0
Van der Waals Surface Area 316.83
Refractivity 57.78

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ELEMENTAL PROPERTIESExact Mass 180.097
Isotope Formula C11H16S
Dot Disconnected Formula C11H16S
Dot Disconnected Isotope Formula C11H16S
Composition C (73.27%), H (8.94%), S (17.78%)
Isotope Composition C (73.27%), H (8.94%), S (17.78%)
Donor Sites 0
Donor Count 0
Acceptor Sites 0
Acceptor Count 0


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TOPOLOGICAL PROPERTIESAtom Count28
Aliphatic Atom Count 6
Aliphatic Bond Count 6
Aromatic Bond Count 6
Asymmetric Atom Count 0
Bond Count 28
Chain Atom Count 6
Chain Bond Count 6
Chiral Center Count 0
Ring Atom Count 6
Ring Bond Count 6
Rotatable Bond Count 4
Stereo Double Bond Count 0
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.