Molecule
ID:67476
General Information
Molecular Formula
C₉H₁₁NO
Molecular Mass
149.18974
Exact Mass
149.08406398
Charge
0
InChI
InChI=1S/C9H11NO/c11-8-4-3-7-2-1-5-10-9(7)6-8/h3-4,6,10-11H,1-2,5H2
InChIKey
HJJRGZMJZDSMDB-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc2c(c1)NCCC2
Isomeric Smiles
N1CCCc2ccc(cc12)O
Calculated Properties
JChem
Acid pKa
10.071087
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.5891296
LogD (pH = 7.4)
1.6254911
Log P
1.6269158
Molar Refractivity
46.1433
Polarizability
16.788244
Polar Surface Area
32.26
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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