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

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 6.57
Van der Waals volume 329.95
Polar Surface Area 26.3
Van der Waals Surface Area 568.08
Refractivity 93.29

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ELEMENTAL PROPERTIESExact Mass 294.256
Isotope Formula C19H34O2
Dot Disconnected Formula C19H34O2
Dot Disconnected Isotope Formula C19H34O2
Composition C (77.5%), H (11.64%), O (10.87%)
Isotope Composition C (77.5%), H (11.64%), O (10.87%)
Donor Sites 0
Donor Count 0
Acceptor Sites 2
Acceptor Count 1


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TOPOLOGICAL PROPERTIESAtom Count55
Aliphatic Atom Count 21
Aliphatic Bond Count 20
Aromatic Bond Count 0
Asymmetric Atom Count 0
Bond Count 54
Chain Atom Count 21
Chain Bond Count 20
Chiral Center Count 0
Ring Atom Count 0
Ring Bond Count 0
Rotatable Bond Count 15
Stereo Double Bond Count 2
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.