Molecule

ID:34050

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆ClN
Molecular Mass
197.70444
Exact Mass
197.0971272
Charge
0
InChI
InChI=1S/C11H15N.ClH/c1-2-12-11-7-9-5-3-4-6-10(9)8-11;/h3-6,11-12H,2,7-8H2,1H3;1H
InChIKey
MLAQAFPYZQJTOY-UHFFFAOYSA-N
Canonic Smiles
CCNC1Cc2c(C1)cccc2.Cl
Isomeric Smiles
c12c(CC(C1)NCC)cccc2.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.9494225
LogD (pH = 7.4)
-0.36835238
Log P
2.2767193
Molar Refractivity
51.7894
Polarizability
20.228407
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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