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

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 2.44
Van der Waals volume 146.67
Polar Surface Area 0
Van der Waals Surface Area 260.6
Refractivity 41.89

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ELEMENTAL PROPERTIESExact Mass 136.125
Isotope Formula C10H16
Dot Disconnected Formula C10H16
Dot Disconnected Isotope Formula C10H16
Composition C (88.16%), H (11.84%)
Isotope Composition C (88.16%), H (11.84%)
Donor Sites 3
Donor Count 1
Acceptor Sites 1
Acceptor Count 1


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TOPOLOGICAL PROPERTIESAtom Count26
Aliphatic Atom Count 10
Aliphatic Bond Count 12
Aromatic Bond Count 0
Asymmetric Atom Count 4
Bond Count 28
Chain Atom Count 3
Chain Bond Count 3
Chiral Center Count 4
Ring Atom Count 7
Ring Bond Count 9
Rotatable Bond Count 0
Stereo Double Bond Count 0
Aliphatic Ring Count 3
Aromatic Ring Count 0
Carbo Ring Count 3
Carboaliphatic Ring Count 3
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 3
Fused Aromatic Ring Count 0
Fused Ring Count 3
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 5
Largest Ring System Size 3
Ring Count 3
Smallest Ring Size 3
Smallest Ring System Size 3

 






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