Molecule

ID:131850

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄ClN
Molecular Mass
195.68856
Exact Mass
195.08147713
Charge
0
InChI
InChI=1S/C11H13N.ClH/c1-3-9-12(2)10-11-7-5-4-6-8-11;/h1,4-8H,9-10H2,2H3;1H
InChIKey
BCXCABRDBBWWGY-UHFFFAOYSA-N
Canonic Smiles
CN(Cc1ccccc1)CC#C.Cl
Isomeric Smiles
CN(CC#C)Cc1ccccc1.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
-0.4371948
LogD (pH = 7.4)
1.3357589
Log P
2.1427257
Molar Refractivity
52.1809
Polarizability
20.026718
Polar Surface Area
3.24
Rotatable Bonds
3
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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