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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 1.02
Van der Waals volume 126.71
Polar Surface Area 77.76
Van der Waals Surface Area 195.26
Refractivity 37.28

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ELEMENTAL PROPERTIESExact Mass 154.027
Isotope Formula C7H6O4
Dot Disconnected Formula C7H6O4
Dot Disconnected Isotope Formula C7H6O4
Composition C (54.55%), H (3.92%), O (41.52%)
Isotope Composition C (54.55%), H (3.92%), O (41.52%)
Donor Sites 3
Donor Count 3
Acceptor Sites 5
Acceptor Count 4


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TOPOLOGICAL PROPERTIESAtom Count17
Aliphatic Atom Count 5
Aliphatic Bond Count 5
Aromatic Bond Count 6
Asymmetric Atom Count 0
Bond Count 17
Chain Atom Count 5
Chain Bond Count 5
Chiral Center Count 0
Ring Atom Count 6
Ring Bond Count 6
Rotatable Bond Count 1
Stereo Double Bond Count 0
Aliphatic Ring Count 0
Aromatic Ring Count 1
Carbo Ring Count 1
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 1
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 1
Smallest Ring Size 6
Smallest Ring System Size 1

 






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