Molecule

ID:12600

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₅NO₂
Molecular Mass
241.2851
Exact Mass
241.11027873
Charge
0
InChI
InChI=1S/C15H15NO2/c17-15(18)14-10-6-2-1-3-8-12(10)16-13-9-5-4-7-11(13)14/h4-5,7,9H,1-3,6,8H2,(H,17,18)
InChIKey
GNZNZCXRLQTPNF-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1c2CCCCCc2nc2c1cccc2
Isomeric Smiles
c1ccc2c(c1)c(c1c(n2)CCCCC1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.7879815
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.6415265
LogD (pH = 7.4)
0.20930383
Log P
3.1871774
Molar Refractivity
68.8949
Polarizability
27.60401
Polar Surface Area
50.19
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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