Molecule

ID:74533

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄ClN
Molecular Mass
207.69926
Exact Mass
207.08147713
Charge
0
InChI
InChI=1S/C12H14ClN/c1-8-12(2,3)10-7-9(13)5-6-11(10)14(8)4/h5-7H,1H2,2-4H3
InChIKey
VDMXGJJMPKAYQP-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc2c(c1)C(C)(C)C(=C)N2C
Isomeric Smiles
N1(C(=C)C(c2c1ccc(c2)Cl)(C)C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.6883624
LogD (pH = 7.4)
3.688402
Log P
3.6884024
Molar Refractivity
62.2334
Polarizability
23.393288
Polar Surface Area
3.24
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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