Molecule

ID:118413

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈N₂O
Molecular Mass
230.30552
Exact Mass
230.14191321
Charge
0
InChI
InChI=1S/C14H18N2O/c15-12-6-5-10-7-8-16(13(10)9-12)14(17)11-3-1-2-4-11/h5-6,9,11H,1-4,7-8,15H2
InChIKey
JYAZWZSSQVPWDK-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCc2c1cc(N)cc2)C1CCCC1
Isomeric Smiles
N1(C(=O)C2CCCC2)c2cc(N)ccc2CC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.9438351
LogD (pH = 7.4)
1.954777
Log P
1.9549184
Molar Refractivity
68.6481
Polarizability
25.935564
Polar Surface Area
46.33
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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