Molecule

ID:71811

General Information
Structure
MolImage
Molecular Formula
C₇H₁₂ClN₃
Molecular Mass
173.64328
Exact Mass
173.07197508
Charge
0
InChI
InChI=1S/C7H11N3.ClH/c1-6(10-8)7-4-2-3-5-9-7;/h2-6,10H,8H2,1H3;1H
InChIKey
GAPADAVNXYAHKK-UHFFFAOYSA-N
Canonic Smiles
NNC(c1ccccn1)C.Cl
Isomeric Smiles
c1(ncccc1)C(NN)C.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.19659545
LogD (pH = 7.4)
0.34466943
Log P
0.34692255
Molar Refractivity
51.3231
Polarizability
15.966907
Polar Surface Area
50.94
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
No Data Available
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Molecule Details
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References
Bioactivity
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