Molecule

ID:62451

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₃ClN₂O
Molecular Mass
318.84102
Exact Mass
318.14989105
Charge
0
InChI
InChI=1S/C18H23ClN2O/c1-2-22-16-8-9-17-13(11-16)10-14(18(19)21-17)12-20-15-6-4-3-5-7-15/h8-11,15,20H,2-7,12H2,1H3
InChIKey
ZLIZLFKRZXVHFV-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccc2c(c1)cc(c(n2)Cl)CNC1CCCCC1
Isomeric Smiles
n1c(c(cc2c1ccc(c2)OCC)CNC1CCCCC1)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.4213159
LogD (pH = 7.4)
2.7953727
Log P
4.5118785
Molar Refractivity
91.3194
Polarizability
36.931133
Polar Surface Area
34.15
Rotatable Bonds
5
Lipinski's Rule of Five
true
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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