Molecule

ID:68997

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅NO₂
Molecular Mass
193.2423
Exact Mass
193.11027873
Charge
0
InChI
InChI=1S/C11H15NO2/c13-10-7-12(8-11(10)14)6-9-4-2-1-3-5-9/h1-5,10-11,13-14H,6-8H2/t10-,11-/m0/s1
InChIKey
QJRIUWQPJVPYSO-QWRGUYRKSA-N
Canonic Smiles
O[C@H]1CN(C[C@@H]1O)Cc1ccccc1
Isomeric Smiles
N1(C[C@@H]([C@H](C1)O)O)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
13.499369
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.3625472
LogD (pH = 7.4)
-0.60549647
Log P
0.48244774
Molar Refractivity
54.5567
Polarizability
21.567543
Polar Surface Area
43.7
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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