Molecule

ID:62568

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₄ClN
Molecular Mass
219.70996
Exact Mass
219.08147713
Charge
0
InChI
InChI=1S/C13H14ClN/c1-4-10-7-11-8(2)5-6-9(3)12(11)15-13(10)14/h5-7H,4H2,1-3H3
InChIKey
FSOUKGUUTKMBCK-UHFFFAOYSA-N
Canonic Smiles
CCc1cc2c(C)ccc(c2nc1Cl)C
Isomeric Smiles
n1c2c(cc(c1Cl)CC)c(ccc2C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.9399223
LogD (pH = 7.4)
4.9399548
Log P
4.939955
Molar Refractivity
65.57
Polarizability
26.034594
Polar Surface Area
12.89
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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