Molecule

ID:30159

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄ClN
Molecular Mass
195.68856
Exact Mass
195.08147713
Charge
0
InChI
InChI=1S/C11H13N.ClH/c1-2-5-10-8-9-6-3-4-7-11(9)12-10;/h2-4,6-7,10,12H,1,5,8H2;1H
InChIKey
MEOFINZTVARBHG-UHFFFAOYSA-N
Canonic Smiles
C=CCC1Cc2c(N1)cccc2.Cl
Isomeric Smiles
N1c2c(CC1CC=C)cccc2.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.5290544
LogD (pH = 7.4)
2.565111
Log P
2.5655906
Molar Refractivity
53.1493
Polarizability
19.672985
Polar Surface Area
12.03
Rotatable Bonds
2
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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