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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 0.86
Van der Waals volume 201.55
Polar Surface Area 63.24
Van der Waals Surface Area 280.47
Refractivity 67.21

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ELEMENTAL PROPERTIESExact Mass 239.058
Isotope Formula C14H9NO3
Dot Disconnected Formula C14H9NO3
Dot Disconnected Isotope Formula C14H9NO3
Composition C (70.29%), H (3.79%), N (5.86%), O (20.06%)
Isotope Composition C (70.29%), H (3.79%), N (5.86%), O (20.06%)
Donor Sites 1
Donor Count 1
Acceptor Sites 6
Acceptor Count 3


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TOPOLOGICAL PROPERTIESAtom Count27
Aliphatic Atom Count 6
Aliphatic Bond Count 8
Aromatic Bond Count 12
Asymmetric Atom Count 0
Bond Count 29
Chain Atom Count 4
Chain Bond Count 4
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 2
Carboaliphatic Ring Count 1
Carboaromatic Ring Count 1
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 0
Fused Ring Count 3
Hetero Ring Count 1
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 1
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.