NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 2.4
Van der Waals volume 210.33
Polar Surface Area 79.9
Van der Waals Surface Area 317.71
Refractivity 69.62

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ELEMENTAL PROPERTIESExact Mass 268.037
Isotope Formula C15H8O5
Dot Disconnected Formula C15H8O5
Dot Disconnected Isotope Formula C15H8O5
Composition C (67.17%), H (3.01%), O (29.83%)
Isotope Composition C (67.17%), H (3.01%), O (29.83%)
Donor Sites 2
Donor Count 2
Acceptor Sites 4
Acceptor Count 3


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TOPOLOGICAL PROPERTIESAtom Count28
Aliphatic Atom Count 3
Aliphatic Bond Count 3
Aromatic Bond Count 20
Asymmetric Atom Count 0
Bond Count 31
Chain Atom Count 3
Chain Bond Count 3
Chiral Center Count 0
Ring Atom Count 17
Ring Bond Count 20
Rotatable Bond Count 0
Stereo Double Bond Count 0
Aliphatic Ring Count 0
Aromatic Ring Count 4
Carbo Ring Count 2
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 2
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 4
Fused Ring Count 4
Hetero Ring Count 2
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 2
Largest Ring Size 6
Largest Ring System Size 4
Ring Count 4
Smallest Ring Size 5
Smallest Ring System Size 4

 






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