Molecule

ID:29174

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₃NO
Molecular Mass
269.38132
Exact Mass
269.17796436
Charge
0
InChI
InChI=1S/C18H23NO/c1-13-10-14(2)12-17(11-13)20-9-8-19-18-15(3)6-5-7-16(18)4/h5-7,10-12,19H,8-9H2,1-4H3
InChIKey
KHQFBQFCAKLKID-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(OCCNc2c(C)cccc2C)cc(c1)C
Isomeric Smiles
c1(c(cccc1C)C)NCCOc1cc(cc(c1)C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.128929
LogD (pH = 7.4)
5.143569
Log P
5.1437593
Molar Refractivity
86.9688
Polarizability
32.52349
Polar Surface Area
21.26
Rotatable Bonds
5
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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