Molecule

ID:55977

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄N₂O₂
Molecular Mass
206.24106
Exact Mass
206.1055277
Charge
0
InChI
InChI=1S/C11H14N2O2/c1-15-11(14)13-6-2-3-8-7-9(12)4-5-10(8)13/h4-5,7H,2-3,6,12H2,1H3
InChIKey
NRFKTHKRWVPCRM-UHFFFAOYSA-N
Canonic Smiles
COC(=O)N1CCCc2c1ccc(c2)N
Isomeric Smiles
N1(c2c(cc(cc2)N)CCC1)C(=O)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.3448756
LogD (pH = 7.4)
1.3497816
Log P
1.3498446
Molar Refractivity
58.2715
Polarizability
21.836634
Polar Surface Area
55.56
Rotatable Bonds
1
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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