Molecule

ID:34473

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁ClN₄
Molecular Mass
210.66344
Exact Mass
210.06722405
Charge
0
InChI
InChI=1S/C9H10N4.ClH/c10-5-8-3-1-2-4-9(8)13-7-11-6-12-13;/h1-4,6-7H,5,10H2;1H
InChIKey
PDVACKLOQCRJBH-UHFFFAOYSA-N
Canonic Smiles
NCc1ccccc1n1cncn1.Cl
Isomeric Smiles
n1(ncnc1)c1ccccc1CN.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.5009212
LogD (pH = 7.4)
-1.6640692
Log P
0.49831313
Molar Refractivity
52.0672
Polarizability
19.893667
Polar Surface Area
56.73
Rotatable Bonds
2
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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