Molecule

ID:89138

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅NO
Molecular Mass
177.2429
Exact Mass
177.11536411
Charge
0
InChI
InChI=1S/C11H15NO/c13-11-6-7-12(9-11)8-10-4-2-1-3-5-10/h1-5,11,13H,6-9H2/t11-/m1/s1
InChIKey
YQMXOIAIYXXXEE-LLVKDONJSA-N
Canonic Smiles
O[C@@H]1CCN(C1)Cc1ccccc1
Isomeric Smiles
N1(Cc2ccccc2)CC[C@H](C1)O
Calculated Properties
JChem
Acid pKa
14.846702
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.0453837
LogD (pH = 7.4)
-0.46866646
Log P
1.1727425
Molar Refractivity
53.4596
Polarizability
20.963245
Polar Surface Area
23.47
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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