Molecule

ID:29369

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₄ClNO
Molecular Mass
317.85296
Exact Mass
317.15464207
Charge
0
InChI
InChI=1S/C19H24ClNO/c1-4-19(2,3)15-9-11-16(12-10-15)22-14-13-21-18-8-6-5-7-17(18)20/h5-12,21H,4,13-14H2,1-3H3
InChIKey
GIVYIDIFOVWRSQ-UHFFFAOYSA-N
Canonic Smiles
CCC(c1ccc(cc1)OCCNc1ccccc1Cl)(C)C
Isomeric Smiles
C(c1ccc(cc1)OCCNc1c(Cl)cccc1)(CC)(C)C
Calculated Properties
JChem
Acid pKa
18.235636
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.682426
LogD (pH = 7.4)
5.683727
Log P
5.683743
Molar Refractivity
94.8757
Polarizability
36.426003
Polar Surface Area
21.26
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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