Molecule

ID:19610

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₈ClNO
Molecular Mass
275.77322
Exact Mass
275.10769188
Charge
0
InChI
InChI=1S/C16H18ClNO/c1-10(2)12-8-7-11(3)9-15(12)19-16-13(17)5-4-6-14(16)18/h4-10H,18H2,1-3H3
InChIKey
CKRIVJRHZKZFAU-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1)Oc1c(N)cccc1Cl)C(C)C
Isomeric Smiles
c1(Oc2c(N)cccc2Cl)c(ccc(c1)C)C(C)C
Calculated Properties
JChem
Acid pKa
19.962242
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
5.0065923
LogD (pH = 7.4)
5.0070763
Log P
5.0070825
Molar Refractivity
81.036
Polarizability
30.895525
Polar Surface Area
35.25
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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