Molecule

ID:36024

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₇NO
Molecular Mass
263.33368
Exact Mass
263.13101417
Charge
0
InChI
InChI=1S/C18H17NO/c1-13-8-9-16-17(12-20)14(2)19(18(16)10-13)11-15-6-4-3-5-7-15/h3-10,12H,11H2,1-2H3
InChIKey
JRXSFENRMIPCDT-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(C)n(c2c1ccc(c2)C)Cc1ccccc1
Isomeric Smiles
c1c(cc2n(c(c(c2c1)C=O)C)Cc1ccccc1)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.445642
LogD (pH = 7.4)
4.445642
Log P
4.445642
Molar Refractivity
83.4287
Polarizability
32.407215
Polar Surface Area
22.0
Rotatable Bonds
3
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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