Molecule

ID:29235

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₄ClNO₂
Molecular Mass
333.85236
Exact Mass
333.14955669
Charge
0
InChI
InChI=1S/C19H24ClNO2/c1-13(2)15-5-8-17(9-6-15)23-14(3)12-21-16-7-10-19(22-4)18(20)11-16/h5-11,13-14,21H,12H2,1-4H3
InChIKey
KRWNKIIMYIINFU-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1Cl)NCC(Oc1ccc(cc1)C(C)C)C
Isomeric Smiles
c1(cc(NCC(Oc2ccc(cc2)C(C)C)C)ccc1OC)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
5.1213417
LogD (pH = 7.4)
5.1969757
Log P
5.198031
Molar Refractivity
96.6816
Polarizability
37.10933
Polar Surface Area
30.49
Rotatable Bonds
7
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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