Molecule

ID:78453

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄N₂O₂
Molecular Mass
206.24106
Exact Mass
206.1055277
Charge
0
InChI
InChI=1S/C11H14N2O2/c14-11(15)9-2-1-3-10(8-9)13-6-4-12-5-7-13/h1-3,8,12H,4-7H2,(H,14,15)
InChIKey
GHDMVTUOLYXWCO-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cccc(c1)N1CCNCC1
Isomeric Smiles
N1(c2cccc(c2)C(=O)O)CCNCC1
Calculated Properties
JChem
Acid pKa
4.7248797
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.3147666
LogD (pH = 7.4)
-1.2726444
Log P
-1.2661891
Molar Refractivity
58.4982
Polarizability
21.958979
Polar Surface Area
52.57
Rotatable Bonds
2
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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