Molecule

ID:31963

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄N₂O₂
Molecular Mass
206.24106
Exact Mass
206.1055277
Charge
0
InChI
InChI=1S/C11H14N2O2/c1-15-10-5-4-8(12)7-9(10)13-6-2-3-11(13)14/h4-5,7H,2-3,6,12H2,1H3
InChIKey
ATWAKSYWVZZWDA-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1N1CCCC1=O)N
Isomeric Smiles
N1(c2cc(N)ccc2OC)C(=O)CCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.25731218
LogD (pH = 7.4)
0.31464523
Log P
0.315428
Molar Refractivity
58.0958
Polarizability
21.82653
Polar Surface Area
55.56
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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