Molecule

ID:11401

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄ClN
Molecular Mass
195.68856
Exact Mass
195.08147713
Charge
0
InChI
InChI=1S/C11H13N.ClH/c1-3-4-9-12-11-7-5-10(2)6-8-11;/h5-8,12H,9H2,1-2H3;1H
InChIKey
VMNFBCMLVJNJRV-UHFFFAOYSA-N
Canonic Smiles
CC#CCNc1ccc(cc1)C.Cl
Isomeric Smiles
C(#CC)CNc1ccc(cc1)C.Cl
Calculated Properties
JChem
Acid pKa
18.769758
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.0208886
LogD (pH = 7.4)
3.0239196
Log P
3.0239584
Molar Refractivity
54.374
Polarizability
19.540054
Polar Surface Area
12.03
Rotatable Bonds
3
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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