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

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.37
Van der Waals volume 259.15
Polar Surface Area 64.99
Van der Waals Surface Area 399.77
Refractivity 80.65

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ELEMENTAL PROPERTIESExact Mass 298.084
Isotope Formula C17H14O5
Dot Disconnected Formula C17H14O5
Dot Disconnected Isotope Formula C17H14O5
Composition C (68.45%), H (4.73%), O (26.82%)
Isotope Composition C (68.45%), H (4.73%), O (26.82%)
Donor Sites 1
Donor Count 1
Acceptor Sites 6
Acceptor Count 5


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TOPOLOGICAL PROPERTIESAtom Count36
Aliphatic Atom Count 6
Aliphatic Bond Count 7
Aromatic Bond Count 17
Asymmetric Atom Count 0
Bond Count 38
Chain Atom Count 6
Chain Bond Count 7
Chiral Center Count 0
Ring Atom Count 16
Ring Bond Count 17
Rotatable Bond Count 3
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.