Molecule

ID:78442

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₈ClNO
Molecular Mass
275.77322
Exact Mass
275.10769188
Charge
0
InChI
InChI=1S/C16H17NO.ClH/c18-15-11-17(12-15)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14;/h1-10,15-16,18H,11-12H2;1H
InChIKey
LCHTWRWPHBRTNO-UHFFFAOYSA-N
Canonic Smiles
OC1CN(C1)C(c1ccccc1)c1ccccc1.Cl
Isomeric Smiles
N1(CC(C1)O)C(c1ccccc1)c1ccccc1.Cl
Calculated Properties
JChem
Acid pKa
14.790377
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.3773568
LogD (pH = 7.4)
2.7484078
Log P
2.897023
Molar Refractivity
72.877
Polarizability
28.743948
Polar Surface Area
23.47
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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