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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 2.16
Van der Waals volume 239.05
Polar Surface Area 127.45
Van der Waals Surface Area 348.18
Refractivity 76.86

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ELEMENTAL PROPERTIESExact Mass 302.043
Isotope Formula C15H10O7
Dot Disconnected Formula C15H10O7
Dot Disconnected Isotope Formula C15H10O7
Composition C (59.61%), H (3.33%), O (37.06%)
Isotope Composition C (59.61%), H (3.33%), O (37.06%)
Donor Sites 5
Donor Count 5
Acceptor Sites 8
Acceptor Count 7


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TOPOLOGICAL PROPERTIESAtom Count32
Aliphatic Atom Count 6
Aliphatic Bond Count 7
Aromatic Bond Count 17
Asymmetric Atom Count 0
Bond Count 34
Chain Atom Count 6
Chain Bond Count 7
Chiral Center Count 0
Ring Atom Count 16
Ring Bond Count 17
Rotatable Bond Count 1
Stereo Double Bond Count 0
Aliphatic Ring Count 0
Aromatic Ring Count 3
Carbo Ring Count 2
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 2
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 2
Fused Ring Count 2
Hetero Ring Count 1
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 1
Largest Ring Size 6
Largest Ring System Size 2
Ring Count 3
Smallest Ring Size 6
Smallest Ring System Size 1

 






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