Molecule

ID:10902

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈N₂O
Molecular Mass
230.30552
Exact Mass
230.14191321
Charge
0
InChI
InChI=1S/C14H18N2O/c1-16(2)13-7-5-12(6-8-13)10-15-11-14-4-3-9-17-14/h3-9,15H,10-11H2,1-2H3
InChIKey
CTIJIFPFXXKIKH-UHFFFAOYSA-N
Canonic Smiles
CN(c1ccc(cc1)CNCc1ccco1)C
Isomeric Smiles
c1c(ccc(c1)N(C)C)CNCc1ccco1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.013812831
LogD (pH = 7.4)
1.7594888
Log P
2.4243584
Molar Refractivity
70.7381
Polarizability
26.824059
Polar Surface Area
28.41
Rotatable Bonds
5
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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