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

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.74
Van der Waals volume 214.73
Polar Surface Area 26.3
Van der Waals Surface Area 314.25
Refractivity 74.59

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ELEMENTAL PROPERTIESExact Mass 299.979
Isotope Formula C15H9BrO2
Dot Disconnected Formula C15H9BrO2
Dot Disconnected Isotope Formula C15H9BrO2
Composition C (59.83%), H (3.01%), Br (26.53%), O (10.63%)
Isotope Composition C (59.83%), H (3.01%), Br (26.53%), O (10.63%)
Donor Sites 0
Donor Count 0
Acceptor Sites 3
Acceptor Count 2


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TOPOLOGICAL PROPERTIESAtom Count27
Aliphatic Atom Count 2
Aliphatic Bond Count 3
Aromatic Bond Count 17
Asymmetric Atom Count 0
Bond Count 29
Chain Atom Count 2
Chain Bond Count 3
Chiral Center Count 0
Ring Atom Count 16
Ring Bond Count 17
Rotatable Bond Count 1
Stereo Double Bond Count 0
Aliphatic Ring Count 0
Aromatic Ring Count 3
Carbo Ring Count 2
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 2
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 2
Fused Ring Count 2
Hetero Ring Count 1
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 1
Largest Ring Size 6
Largest Ring System Size 2
Ring Count 3
Smallest Ring Size 6
Smallest Ring System Size 1

 






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