Molecule

ID:57437

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀ClN₃
Molecular Mass
207.6595
Exact Mass
207.05632502
Charge
0
InChI
InChI=1S/C10H10ClN3/c11-9-4-2-1-3-8(9)7-14-10(12)5-6-13-14/h1-6H,7,12H2
InChIKey
OMPYFUBKXQUIGG-UHFFFAOYSA-N
Canonic Smiles
Clc1ccccc1Cn1nccc1N
Isomeric Smiles
n1(c(ccn1)N)Cc1ccccc1Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.986596
LogD (pH = 7.4)
1.9899459
Log P
1.9899887
Molar Refractivity
68.3325
Polarizability
21.495235
Polar Surface Area
43.84
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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