Molecule

ID:53509

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₉NO
Molecular Mass
265.34956
Exact Mass
265.14666423
Charge
0
InChI
InChI=1S/C18H19NO/c20-17-8-4-7-14-15-11-13(12-5-2-1-3-6-12)9-10-16(15)19-18(14)17/h4,7,9-12,19H,1-3,5-6,8H2
InChIKey
HQBQIFFRSMMCRC-UHFFFAOYSA-N
Canonic Smiles
O=C1CC=Cc2c1[nH]c1c2cc(cc1)C1CCCCC1
Isomeric Smiles
c12c(c3c([nH]1)ccc(c3)C1CCCCC1)C=CCC2=O
Calculated Properties
JChem
Acid pKa
9.445315
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.1356063
LogD (pH = 7.4)
4.131763
Log P
4.1356554
Molar Refractivity
82.5989
Polarizability
32.372257
Polar Surface Area
32.86
Rotatable Bonds
1
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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