Molecule

ID:92604

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄N₂O₂
Molecular Mass
206.24106
Exact Mass
206.1055277
Charge
0
InChI
InChI=1S/C11H14N2O2/c14-11(15)9-5-4-6-10(12-9)13-7-2-1-3-8-13/h4-6H,1-3,7-8H2,(H,14,15)
InChIKey
ZBNWTBPSTOBOGV-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cccc(n1)N1CCCCC1
Isomeric Smiles
n1c(cccc1N1CCCCC1)C(=O)O
Calculated Properties
JChem
Acid pKa
1.727464
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.3058751
LogD (pH = 7.4)
-0.23894224
Log P
0.32124984
Molar Refractivity
57.6694
Polarizability
21.397427
Polar Surface Area
53.43
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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