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

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 2.48
Van der Waals volume 117.11
Polar Surface Area 0
Van der Waals Surface Area 178.39
Refractivity 37.32

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ELEMENTAL PROPERTIESExact Mass 114.05
Isotope Formula C6H10S
Dot Disconnected Formula C6H10S
Dot Disconnected Isotope Formula C6H10S
Composition C (63.1%), H (8.83%), S (28.08%)
Isotope Composition C (63.1%), H (8.83%), S (28.08%)
Donor Sites 0
Donor Count 0
Acceptor Sites 0
Acceptor Count 0


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TOPOLOGICAL PROPERTIESAtom Count17
Aliphatic Atom Count 7
Aliphatic Bond Count 6
Aromatic Bond Count 0
Asymmetric Atom Count 0
Bond Count 16
Chain Atom Count 7
Chain Bond Count 6
Chiral Center Count 0
Ring Atom Count 0
Ring Bond Count 0
Rotatable Bond Count 4
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.