Molecule

ID:65010

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁NO
Molecular Mass
149.18974
Exact Mass
149.08406398
Charge
0
InChI
InChI=1S/C9H11NO/c1-11-9-3-2-7-5-10-6-8(7)4-9/h2-4,10H,5-6H2,1H3
InChIKey
BNBIUUBEQGUPJK-UHFFFAOYSA-N
Canonic Smiles
COc1ccc2c(c1)CNC2
Isomeric Smiles
c1(ccc2c(c1)CNC2)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.9982531
LogD (pH = 7.4)
-0.70863074
Log P
1.1251507
Molar Refractivity
44.3238
Polarizability
17.324537
Polar Surface Area
21.26
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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