Molecule

ID:45997

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁NO
Molecular Mass
149.18974
Exact Mass
149.08406398
Charge
0
InChI
InChI=1S/C9H11NO/c1-2-4-8(5-3-1)11-9-6-10-7-9/h1-5,9-10H,6-7H2
InChIKey
CCDAHKDEKOTDGR-UHFFFAOYSA-N
Canonic Smiles
N1CC(C1)Oc1ccccc1
Isomeric Smiles
N1CC(Oc2ccccc2)C1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.5130492
LogD (pH = 7.4)
0.13595332
Log P
1.3394133
Molar Refractivity
42.9468
Polarizability
17.334051
Polar Surface Area
21.26
Rotatable Bonds
2
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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