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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.47
Van der Waals volume 249.83
Polar Surface Area 86.99
Van der Waals Surface Area 380.77
Refractivity 79.28

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ELEMENTAL PROPERTIESExact Mass 286.084
Isotope Formula C16H14O5
Dot Disconnected Formula C16H14O5
Dot Disconnected Isotope Formula C16H14O5
Composition C (67.13%), H (4.93%), O (27.94%)
Isotope Composition C (67.13%), H (4.93%), O (27.94%)
Donor Sites 3
Donor Count 3
Acceptor Sites 6
Acceptor Count 5


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TOPOLOGICAL PROPERTIESAtom Count35
Aliphatic Atom Count 9
Aliphatic Bond Count 10
Aromatic Bond Count 12
Asymmetric Atom Count 0
Bond Count 36
Chain Atom Count 9
Chain Bond Count 10
Chiral Center Count 0
Ring Atom Count 12
Ring Bond Count 12
Rotatable Bond Count 4
Stereo Double Bond Count 1
Aliphatic Ring Count 0
Aromatic Ring Count 2
Carbo Ring Count 2
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 2
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 0
Fused Ring Count 0
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 1
Ring Count 2
Smallest Ring Size 6
Smallest Ring System Size 1

 






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