Molecule

ID:67392

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁NO
Molecular Mass
149.18974
Exact Mass
149.08406398
Charge
0
InChI
InChI=1S/C9H11NO/c11-8-3-4-9-7(6-8)2-1-5-10-9/h3-4,6,10-11H,1-2,5H2
InChIKey
CTJSPUFGQNVJJP-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc2c(c1)CCCN2
Isomeric Smiles
N1CCCc2cc(ccc12)O
Calculated Properties
JChem
Acid pKa
10.437307
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.7419061
LogD (pH = 7.4)
1.5895064
Log P
1.6269158
Molar Refractivity
46.1433
Polarizability
16.787735
Polar Surface Area
32.26
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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