Molecule

ID:101199

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅NO
Molecular Mass
189.2536
Exact Mass
189.11536411
Charge
0
InChI
InChI=1S/C12H15NO/c14-10-11-5-4-6-12(9-11)13-7-2-1-3-8-13/h4-6,9-10H,1-3,7-8H2
InChIKey
FXXQUTSXXILOMY-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cccc(c1)N1CCCCC1
Isomeric Smiles
N1(c2cc(C=O)ccc2)CCCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.6018069
LogD (pH = 7.4)
2.6435983
Log P
2.6441581
Molar Refractivity
59.2126
Polarizability
21.844604
Polar Surface Area
20.31
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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