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

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 2.94
Van der Waals volume 233.78
Polar Surface Area 30.49
Van der Waals Surface Area 367.2
Refractivity 76.5

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ELEMENTAL PROPERTIESExact Mass 265.11
Isotope Formula C17H15NO2
Dot Disconnected Formula C17H15NO2
Dot Disconnected Isotope Formula C17H15NO2
Composition C (76.96%), H (5.7%), N (5.28%), O (12.06%)
Isotope Composition C (76.96%), H (5.7%), N (5.28%), O (12.06%)
Donor Sites 1
Donor Count 1
Acceptor Sites 3
Acceptor Count 3


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TOPOLOGICAL PROPERTIESAtom Count35
Aliphatic Atom Count 8
Aliphatic Bond Count 12
Aromatic Bond Count 12
Asymmetric Atom Count 1
Bond Count 39
Chain Atom Count 0
Chain Bond Count 0
Chiral Center Count 1
Ring Atom Count 20
Ring Bond Count 24
Rotatable Bond Count 0
Stereo Double Bond Count 0
Aliphatic Ring Count 3
Aromatic Ring Count 2
Carbo Ring Count 3
Carboaliphatic Ring Count 1
Carboaromatic Ring Count 2
Fused Aliphatic Ring Count 2
Fused Aromatic Ring Count 0
Fused Ring Count 5
Hetero Ring Count 2
Heteroaliphatic Ring Count 2
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 5
Ring Count 5
Smallest Ring Size 5
Smallest Ring System Size 5

 






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