Molecule

ID:106541

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄N₂O₂
Molecular Mass
194.23036
Exact Mass
194.1055277
Charge
0
InChI
InChI=1S/C10H14N2O2/c11-9(10(13)12-14)7-6-8-4-2-1-3-5-8/h1-5,9,14H,6-7,11H2,(H,12,13)/t9-/m0/s1
InChIKey
AMLMQPZXMCRPLD-VIFPVBQESA-N
Canonic Smiles
ONC(=O)[C@H](CCc1ccccc1)N
Isomeric Smiles
N[C@@H](CCc1ccccc1)C(=O)NO
Calculated Properties
JChem
Acid pKa
8.858725
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
-1.5995435
LogD (pH = 7.4)
0.058806006
Log P
0.35474324
Molar Refractivity
53.3041
Polarizability
21.048267
Polar Surface Area
75.35
Rotatable Bonds
4
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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