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

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 2.55
Van der Waals volume 159.01
Polar Surface Area 34.14
Van der Waals Surface Area 245.97
Refractivity 48.89

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ELEMENTAL PROPERTIESExact Mass 164.084
Isotope Formula C10H12O2
Dot Disconnected Formula C10H12O2
Dot Disconnected Isotope Formula C10H12O2
Composition C (73.15%), H (7.37%), O (19.49%)
Isotope Composition C (73.15%), H (7.37%), O (19.49%)
Donor Sites 0
Donor Count 0
Acceptor Sites 4
Acceptor Count 2


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TOPOLOGICAL PROPERTIESAtom Count24
Aliphatic Atom Count 12
Aliphatic Bond Count 12
Aromatic Bond Count 0
Asymmetric Atom Count 0
Bond Count 24
Chain Atom Count 6
Chain Bond Count 6
Chiral Center Count 0
Ring Atom Count 6
Ring Bond Count 6
Rotatable Bond Count 1
Stereo Double Bond Count 0
Aliphatic Ring Count 1
Aromatic Ring Count 0
Carbo Ring Count 1
Carboaliphatic Ring Count 1
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 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.