Molecule

ID:20077

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₈ClNO
Molecular Mass
275.77322
Exact Mass
275.10769188
Charge
0
InChI
InChI=1S/C16H18ClNO/c1-10(2)13-6-4-11(3)8-16(13)19-15-7-5-12(18)9-14(15)17/h4-10H,18H2,1-3H3
InChIKey
MIWMSXHNLFVGNI-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)Cl)Oc1cc(C)ccc1C(C)C
Isomeric Smiles
c1(Oc2c(cc(N)cc2)Cl)c(ccc(c1)C)C(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.998766
LogD (pH = 7.4)
5.0069766
Log P
5.0070825
Molar Refractivity
81.036
Polarizability
30.89379
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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