Molecule

ID:30848

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀ClN₃
Molecular Mass
207.6595
Exact Mass
207.05632502
Charge
0
InChI
InChI=1S/C10H10ClN3/c1-7-13-4-5-14(7)10-3-2-8(11)6-9(10)12/h2-6H,12H2,1H3
InChIKey
SGCQDTYTRZFEPP-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)N)n1ccnc1C
Isomeric Smiles
n1(c2c(cc(cc2)Cl)N)c(ncc1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.1791792
LogD (pH = 7.4)
1.1417154
Log P
1.2785
Molar Refractivity
67.9523
Polarizability
22.166712
Polar Surface Area
43.84
Rotatable Bonds
1
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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