NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
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CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 1.07
Van der Waals volume 161.97
Polar Surface Area 55.76
Van der Waals Surface Area 268.35
Refractivity 47.55

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ELEMENTAL PROPERTIESExact Mass 182.058
Isotope Formula C9H10O4
Dot Disconnected Formula C9H10O4
Dot Disconnected Isotope Formula C9H10O4
Composition C (59.34%), H (5.53%), O (35.13%)
Isotope Composition C (59.34%), H (5.53%), O (35.13%)
Donor Sites 1
Donor Count 1
Acceptor Sites 5
Acceptor Count 4


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TOPOLOGICAL PROPERTIESAtom Count23
Aliphatic Atom Count 7
Aliphatic Bond Count 7
Aromatic Bond Count 6
Asymmetric Atom Count 0
Bond Count 23
Chain Atom Count 7
Chain Bond Count 7
Chiral Center Count 0
Ring Atom Count 6
Ring Bond Count 6
Rotatable Bond Count 3
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.