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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP -0.52
Van der Waals volume 193.37
Polar Surface Area 90.15
Van der Waals Surface Area 312.37
Refractivity 53.24

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ELEMENTAL PROPERTIESExact Mass 214.084
Isotope Formula C10H14O5
Dot Disconnected Formula C10H14O5
Dot Disconnected Isotope Formula C10H14O5
Composition C (56.07%), H (6.59%), O (37.34%)
Isotope Composition C (56.07%), H (6.59%), O (37.34%)
Donor Sites 4
Donor Count 4
Acceptor Sites 5
Acceptor Count 5


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TOPOLOGICAL PROPERTIESAtom Count29
Aliphatic Atom Count 9
Aliphatic Bond Count 9
Aromatic Bond Count 6
Asymmetric Atom Count 2
Bond Count 29
Chain Atom Count 9
Chain Bond Count 9
Chiral Center Count 2
Ring Atom Count 6
Ring Bond Count 6
Rotatable Bond Count 4
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.