Molecule

ID:31259

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅NO
Molecular Mass
189.2536
Exact Mass
189.11536411
Charge
0
InChI
InChI=1S/C12H15NO/c1-10-9-11-5-2-3-6-12(11)13(10)7-4-8-14/h2-3,5-6,9,14H,4,7-8H2,1H3
InChIKey
ZBMAYJADIOXKGW-UHFFFAOYSA-N
Canonic Smiles
OCCCn1c(C)cc2c1cccc2
Isomeric Smiles
n1(c(cc2c1cccc2)C)CCCO
Calculated Properties
JChem
Acid pKa
15.92314
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.8651029
LogD (pH = 7.4)
1.8651029
Log P
1.8651029
Molar Refractivity
58.3486
Polarizability
23.411749
Polar Surface Area
25.16
Rotatable Bonds
3
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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