Molecule

ID:80860

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₁NO
Molecular Mass
267.36544
Exact Mass
267.1623143
Charge
0
InChI
InChI=1S/C18H21NO/c1-10-11(2)13(4)17(14(5)12(10)3)18(20)15-6-8-16(19)9-7-15/h6-9H,19H2,1-5H3
InChIKey
JDZSNGLSNCZMIE-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)C(=O)c1c(C)c(C)c(c(c1C)C)C
Isomeric Smiles
O=C(c1c(c(c(c(c1C)C)C)C)C)c1ccc(cc1)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.168767
LogD (pH = 7.4)
5.1707544
Log P
5.1707797
Molar Refractivity
86.5399
Polarizability
31.975813
Polar Surface Area
43.09
Rotatable Bonds
2
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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