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

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 2.66
Van der Waals volume 228.33
Polar Surface Area 64.99
Van der Waals Surface Area 341.49
Refractivity 73.49

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ELEMENTAL PROPERTIESExact Mass 282.053
Isotope Formula C16H10O5
Dot Disconnected Formula C16H10O5
Dot Disconnected Isotope Formula C16H10O5
Composition C (68.09%), H (3.57%), O (28.34%)
Isotope Composition C (68.09%), H (3.57%), O (28.34%)
Donor Sites 1
Donor Count 1
Acceptor Sites 6
Acceptor Count 5


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TOPOLOGICAL PROPERTIESAtom Count31
Aliphatic Atom Count 5
Aliphatic Bond Count 7
Aromatic Bond Count 17
Asymmetric Atom Count 0
Bond Count 34
Chain Atom Count 2
Chain Bond Count 3
Chiral Center Count 0
Ring Atom Count 19
Ring Bond Count 21
Rotatable Bond Count 1
Stereo Double Bond Count 0
Aliphatic Ring Count 1
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 4
Hetero Ring Count 2
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 1
Largest Ring Size 6
Largest Ring System Size 2
Ring Count 4
Smallest Ring Size 5
Smallest Ring System Size 2

 






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