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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 2.44
Van der Waals volume 238.28
Polar Surface Area 75.99
Van der Waals Surface Area 361.71
Refractivity 69.71

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ELEMENTAL PROPERTIESExact Mass 284.068
Isotope Formula C16H12O5
Dot Disconnected Formula C16H12O5
Dot Disconnected Isotope Formula C16H12O5
Composition C (67.6%), H (4.25%), O (28.14%)
Isotope Composition C (67.6%), H (4.25%), O (28.14%)
Donor Sites 2
Donor Count 2
Acceptor Sites 6
Acceptor Count 5


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TOPOLOGICAL PROPERTIESAtom Count33
Aliphatic Atom Count 9
Aliphatic Bond Count 11
Aromatic Bond Count 12
Asymmetric Atom Count 0
Bond Count 35
Chain Atom Count 6
Chain Bond Count 7
Chiral Center Count 0
Ring Atom Count 15
Ring Bond Count 16
Rotatable Bond Count 2
Stereo Double Bond Count 1
Aliphatic Ring Count 1
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 2
Hetero Ring Count 1
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 2
Ring Count 3
Smallest Ring Size 5
Smallest Ring System Size 1

 






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