Molecule

ID:89311

General Information
Structure
MolImage
Molecular Formula
C₅H₇ClN₄
Molecular Mass
158.58888
Exact Mass
158.03592392
Charge
0
InChI
InChI=1S/C5H7ClN4/c1-10(7)5-3-2-4(6)8-9-5/h2-3H,7H2,1H3
InChIKey
RPBZJGTXXMJLGI-UHFFFAOYSA-N
Canonic Smiles
CN(c1ccc(nn1)Cl)N
Isomeric Smiles
n1nc(ccc1Cl)N(N)C
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.6136487
LogD (pH = 7.4)
0.6327923
Log P
0.63304156
Molar Refractivity
53.456
Polarizability
14.944843
Polar Surface Area
55.04
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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