Molecule

ID:29469

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₄ClNO
Molecular Mass
317.85296
Exact Mass
317.15464207
Charge
0
InChI
InChI=1S/C19H24ClNO/c1-14(13-21-17-9-7-16(20)8-10-17)22-18-11-5-15(6-12-18)19(2,3)4/h5-12,14,21H,13H2,1-4H3
InChIKey
RXORGURDTMUWKK-UHFFFAOYSA-N
Canonic Smiles
CC(Oc1ccc(cc1)C(C)(C)C)CNc1ccc(cc1)Cl
Isomeric Smiles
C(c1ccc(OC(CNc2ccc(Cl)cc2)C)cc1)(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.6463566
LogD (pH = 7.4)
5.65563
Log P
5.6557493
Molar Refractivity
94.6935
Polarizability
36.410343
Polar Surface Area
21.26
Rotatable Bonds
6
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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