Molecule

ID:28387

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀ClN₃
Molecular Mass
207.6595
Exact Mass
207.05632502
Charge
0
InChI
InChI=1S/C10H10ClN3/c11-9-3-1-8(2-4-9)7-14-6-5-10(12)13-14/h1-6H,7H2,(H2,12,13)
InChIKey
DQRKUAPJKJGTMA-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)Cn1ccc(n1)N
Isomeric Smiles
n1n(ccc1N)Cc1ccc(Cl)cc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.4892972
LogD (pH = 7.4)
2.495081
Log P
2.4951553
Molar Refractivity
69.3927
Polarizability
21.48405
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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