Molecule

ID:86833

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅NO
Molecular Mass
189.2536
Exact Mass
189.11536411
Charge
0
InChI
InChI=1S/C12H15NO/c14-10-4-3-8-13-9-7-11-5-1-2-6-12(11)13/h1-2,5-7,9,14H,3-4,8,10H2
InChIKey
VHLFUSYZVNXKFT-UHFFFAOYSA-N
Canonic Smiles
OCCCCn1ccc2c1cccc2
Isomeric Smiles
n1(ccc2ccccc12)CCCCO
Calculated Properties
JChem
Acid pKa
15.972024
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.1829042
LogD (pH = 7.4)
2.1829042
Log P
2.1829042
Molar Refractivity
57.8435
Polarizability
23.49554
Polar Surface Area
25.16
Rotatable Bonds
4
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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