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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 1.94
Van der Waals volume 244.95
Polar Surface Area 109.36
Van der Waals Surface Area 376.23
Refractivity 78.06

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ELEMENTAL PROPERTIESExact Mass 314.043
Isotope Formula C16H10O7
Dot Disconnected Formula C16H10O7
Dot Disconnected Isotope Formula C16H10O7
Composition C (61.15%), H (3.21%), O (35.64%)
Isotope Composition C (61.15%), H (3.21%), O (35.64%)
Donor Sites 3
Donor Count 3
Acceptor Sites 6
Acceptor Count 5


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TOPOLOGICAL PROPERTIESAtom Count33
Aliphatic Atom Count 6
Aliphatic Bond Count 6
Aromatic Bond Count 20
Asymmetric Atom Count 0
Bond Count 36
Chain Atom Count 6
Chain Bond Count 6
Chiral Center Count 0
Ring Atom Count 17
Ring Bond Count 20
Rotatable Bond Count 1
Stereo Double Bond Count 0
Aliphatic Ring Count 0
Aromatic Ring Count 4
Carbo Ring Count 2
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 2
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 4
Fused Ring Count 4
Hetero Ring Count 2
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 2
Largest Ring Size 6
Largest Ring System Size 4
Ring Count 4
Smallest Ring Size 5
Smallest Ring System Size 4

 






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