Molecule

ID:24113

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃ClN₂
Molecular Mass
208.68732
Exact Mass
208.07672611
Charge
0
InChI
InChI=1S/C11H12N2.ClH/c1-9-8-10(12)4-5-11(9)13-6-2-3-7-13;/h2-8H,12H2,1H3;1H
InChIKey
FLSPBNQXXAEGHY-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)C)n1cccc1.Cl
Isomeric Smiles
n1(c2c(cc(cc2)N)C)cccc1.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.7453052
LogD (pH = 7.4)
2.2341053
Log P
2.2458
Molar Refractivity
65.552
Polarizability
21.266806
Polar Surface Area
30.95
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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