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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 1.09
Van der Waals volume 184.77
Polar Surface Area 66.49
Van der Waals Surface Area 299.27
Refractivity 62.83

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ELEMENTAL PROPERTIESExact Mass 203.117
Isotope Formula C10H13N5
Dot Disconnected Formula C10H13N5
Dot Disconnected Isotope Formula C10H13N5
Composition C (59.1%), H (6.45%), N (34.46%)
Isotope Composition C (59.1%), H (6.45%), N (34.46%)
Donor Sites 2
Donor Count 2
Acceptor Sites 4
Acceptor Count 4


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TOPOLOGICAL PROPERTIESAtom Count28
Aliphatic Atom Count 6
Aliphatic Bond Count 6
Aromatic Bond Count 10
Asymmetric Atom Count 0
Bond Count 29
Chain Atom Count 6
Chain Bond Count 6
Chiral Center Count 0
Ring Atom Count 9
Ring Bond Count 10
Rotatable Bond Count 3
Stereo Double Bond Count 0
Aliphatic Ring Count 0
Aromatic Ring Count 2
Carbo Ring Count 0
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 2
Fused Ring Count 2
Hetero Ring Count 2
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 2
Largest Ring Size 6
Largest Ring System Size 2
Ring Count 2
Smallest Ring Size 5
Smallest Ring System Size 2

 






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