Molecule

ID:73701

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₃ClN₂O
Molecular Mass
318.84102
Exact Mass
318.14989105
Charge
0
InChI
InChI=1S/C18H23ClN2O/c1-11-7-12(2)14(13(3)8-11)10-21-15(17(19)22)9-16(20-21)18(4,5)6/h7-9H,10H2,1-6H3
InChIKey
KSZFFPZMXJLMBI-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(C)c(c(c1)C)Cn1nc(cc1C(=O)Cl)C(C)(C)C
Isomeric Smiles
n1c(C(C)(C)C)cc(n1Cc1c(cc(cc1C)C)C)C(=O)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.707639
LogD (pH = 7.4)
5.707663
Log P
5.7076635
Molar Refractivity
103.9837
Polarizability
34.821117
Polar Surface Area
34.89
Rotatable Bonds
4
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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