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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 2.25
Van der Waals volume 257.58
Polar Surface Area 116.45
Van der Waals Surface Area 385.23
Refractivity 81.36

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ELEMENTAL PROPERTIESExact Mass 316.058
Isotope Formula C16H12O7
Dot Disconnected Formula C16H12O7
Dot Disconnected Isotope Formula C16H12O7
Composition C (60.76%), H (3.82%), O (35.41%)
Isotope Composition C (60.76%), H (3.82%), O (35.41%)
Donor Sites 4
Donor Count 4
Acceptor Sites 8
Acceptor Count 7


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TOPOLOGICAL PROPERTIESAtom Count35
Aliphatic Atom Count 7
Aliphatic Bond Count 8
Aromatic Bond Count 17
Asymmetric Atom Count 0
Bond Count 37
Chain Atom Count 7
Chain Bond Count 8
Chiral Center Count 0
Ring Atom Count 16
Ring Bond Count 17
Rotatable Bond Count 2
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.