Molecule

ID:55067

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆ClN
Molecular Mass
197.70444
Exact Mass
197.0971272
Charge
0
InChI
InChI=1S/C11H15N.ClH/c1-12(2)11-7-9-5-3-4-6-10(9)8-11;/h3-6,11H,7-8H2,1-2H3;1H
InChIKey
ZWKNQOBDWPYICD-UHFFFAOYSA-N
Canonic Smiles
CN(C1Cc2c(C1)cccc2)C.Cl
Isomeric Smiles
c1ccc2c(c1)CC(C2)N(C)C.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
-1.0753822
LogD (pH = 7.4)
0.22985233
Log P
2.3029594
Molar Refractivity
52.3355
Polarizability
20.228384
Polar Surface Area
3.24
Rotatable Bonds
1
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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