Molecule

ID:57101

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀ClN₃
Molecular Mass
207.6595
Exact Mass
207.05632502
Charge
0
InChI
InChI=1S/C10H10ClN3/c11-9-5-13-14(7-9)6-8-2-1-3-10(12)4-8/h1-5,7H,6,12H2
InChIKey
XGPQLTNNMJBPOQ-UHFFFAOYSA-N
Canonic Smiles
Clc1cnn(c1)Cc1cccc(c1)N
Isomeric Smiles
n1(cc(cn1)Cl)Cc1cc(ccc1)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.8884448
LogD (pH = 7.4)
1.9005413
Log P
1.9006977
Molar Refractivity
69.0792
Polarizability
21.529842
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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