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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.55
Van der Waals volume 224.98
Polar Surface Area 49.69
Van der Waals Surface Area 345.07
Refractivity 71.94

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ELEMENTAL PROPERTIESExact Mass 242.094
Isotope Formula C15H14O3
Dot Disconnected Formula C15H14O3
Dot Disconnected Isotope Formula C15H14O3
Composition C (74.36%), H (5.82%), O (19.81%)
Isotope Composition C (74.36%), H (5.82%), O (19.81%)
Donor Sites 2
Donor Count 2
Acceptor Sites 3
Acceptor Count 3


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TOPOLOGICAL PROPERTIESAtom Count32
Aliphatic Atom Count 6
Aliphatic Bond Count 7
Aromatic Bond Count 12
Asymmetric Atom Count 0
Bond Count 33
Chain Atom Count 6
Chain Bond Count 7
Chiral Center Count 0
Ring Atom Count 12
Ring Bond Count 12
Rotatable Bond Count 3
Stereo Double Bond Count 1
Aliphatic Ring Count 0
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 0
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 1
Ring Count 2
Smallest Ring Size 6
Smallest Ring System Size 1

 






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