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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.31
Van der Waals volume 205.3
Polar Surface Area 94.83
Van der Waals Surface Area 299.92
Refractivity 67.09

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ELEMENTAL PROPERTIESExact Mass 256.037
Isotope Formula C14H8O5
Dot Disconnected Formula C14H8O5
Dot Disconnected Isotope Formula C14H8O5
Composition C (65.63%), H (3.15%), O (31.22%)
Isotope Composition C (65.63%), H (3.15%), O (31.22%)
Donor Sites 3
Donor Count 3
Acceptor Sites 7
Acceptor Count 5


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TOPOLOGICAL PROPERTIESAtom Count27
Aliphatic Atom Count 7
Aliphatic Bond Count 9
Aromatic Bond Count 12
Asymmetric Atom Count 0
Bond Count 29
Chain Atom Count 5
Chain Bond Count 5
Chiral Center Count 0
Ring Atom Count 14
Ring Bond Count 16
Rotatable Bond Count 0
Stereo Double Bond Count 0
Aliphatic Ring Count 1
Aromatic Ring Count 2
Carbo Ring Count 3
Carboaliphatic Ring Count 1
Carboaromatic Ring Count 2
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 0
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 3
Smallest Ring Size 6
Smallest Ring System Size 3

 






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