Molecule

ID:55128

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃ClN₂
Molecular Mass
208.68732
Exact Mass
208.07672611
Charge
0
InChI
InChI=1S/C11H12N2.ClH/c1-12-7-9-6-10-4-2-3-5-11(10)13-8-9;/h2-6,8,12H,7H2,1H3;1H
InChIKey
JBMFMRUCUMQNRA-UHFFFAOYSA-N
Canonic Smiles
CNCc1cnc2c(c1)cccc2.Cl
Isomeric Smiles
c1ccc2c(c1)cc(cn2)CNC.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.4684223
LogD (pH = 7.4)
-0.2982865
Log P
1.6892493
Molar Refractivity
53.2273
Polarizability
22.271967
Polar Surface Area
24.92
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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