Molecule

ID:120908

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁ClN₄
Molecular Mass
210.66344
Exact Mass
210.06722405
Charge
0
InChI
InChI=1S/C9H10N4.ClH/c1-7-11-4-5-13(7)9-3-2-8(10)6-12-9;/h2-6H,10H2,1H3;1H
InChIKey
RBFADPCFGGSODE-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(nc1)n1ccnc1C.Cl
Isomeric Smiles
n1(c(ncc1)C)c1ncc(N)cc1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.9219827
LogD (pH = 7.4)
0.040075783
Log P
0.1472
Molar Refractivity
61.3041
Polarizability
18.743275
Polar Surface Area
56.73
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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