Molecule

ID:28434

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈N₂O
Molecular Mass
230.30552
Exact Mass
230.14191321
Charge
0
InChI
InChI=1S/C14H18N2O/c1-3-11(13-6-7-16-14(13)5-1)9-15-10-12-4-2-8-17-12/h1,3,5-7,12,15-16H,2,4,8-10H2
InChIKey
IEUVUIUBXFYRSR-UHFFFAOYSA-N
Canonic Smiles
C1COC(C1)CNCc1cccc2c1cc[nH]2
Isomeric Smiles
c12c([nH]cc1)cccc2CNCC1OCCC1
Calculated Properties
JChem
Acid pKa
16.341274
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.1263483
LogD (pH = 7.4)
-0.04403233
Log P
2.0489457
Molar Refractivity
68.6472
Polarizability
28.119753
Polar Surface Area
37.05
Rotatable Bonds
4
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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