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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.73
Van der Waals volume 249.84
Polar Surface Area 57.53
Van der Waals Surface Area 358.33
Refractivity 86.35

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ELEMENTAL PROPERTIESExact Mass 288.079
Isotope Formula C19H12O3
Dot Disconnected Formula C19H12O3
Dot Disconnected Isotope Formula C19H12O3
Composition C (79.16%), H (4.2%), O (16.65%)
Isotope Composition C (79.16%), H (4.2%), O (16.65%)
Donor Sites 2
Donor Count 2
Acceptor Sites 4
Acceptor Count 3


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TOPOLOGICAL PROPERTIESAtom Count34
Aliphatic Atom Count 6
Aliphatic Bond Count 8
Aromatic Bond Count 17
Asymmetric Atom Count 0
Bond Count 37
Chain Atom Count 3
Chain Bond Count 4
Chiral Center Count 0
Ring Atom Count 19
Ring Bond Count 21
Rotatable Bond Count 1
Stereo Double Bond Count 0
Aliphatic Ring Count 1
Aromatic Ring Count 3
Carbo Ring Count 4
Carboaliphatic Ring Count 1
Carboaromatic Ring Count 3
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 2
Fused Ring Count 3
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 3
Ring Count 4
Smallest Ring Size 6
Smallest Ring System Size 1

 






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