Molecule

ID:28883

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₈ClN
Molecular Mass
259.77382
Exact Mass
259.11277726
Charge
0
InChI
InChI=1S/C16H18ClN/c1-11-8-12(2)16(13(3)9-11)18-10-14-4-6-15(17)7-5-14/h4-9,18H,10H2,1-3H3
InChIKey
AVBFLNSFMNVMNA-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(C)c(c(c1)C)NCc1ccc(cc1)Cl
Isomeric Smiles
c1(NCc2ccc(Cl)cc2)c(cc(cc1C)C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
5.291717
LogD (pH = 7.4)
5.3145075
Log P
5.314806
Molar Refractivity
80.7928
Polarizability
30.073112
Polar Surface Area
12.03
Rotatable Bonds
3
Lipinski's Rule of Five
false
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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