Molecule

ID:18351

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈N₂O
Molecular Mass
230.30552
Exact Mass
230.14191321
Charge
0
InChI
InChI=1S/C14H18N2O/c1-10-9-11-5-2-3-7-13(11)16(10)14(17)12-6-4-8-15-12/h2-3,5,7,10,12,15H,4,6,8-9H2,1H3
InChIKey
XBSAFBRZYGZLRO-UHFFFAOYSA-N
Canonic Smiles
CC1Cc2c(N1C(=O)C1CCCN1)cccc2
Isomeric Smiles
N1(C(=O)C2NCCC2)C(Cc2c1cccc2)C
Calculated Properties
JChem
Acid pKa
18.097422
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.5114411
LogD (pH = 7.4)
-0.3968807
Log P
1.65769
Molar Refractivity
67.1859
Polarizability
26.325384
Polar Surface Area
32.34
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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