Molecule
ID:14957
General Information
Molecular Formula
C₁₄H₂₀N₂O
Molecular Mass
232.3214
Exact Mass
232.15756327
Charge
0
InChI
InChI=1S/C14H20N2O/c1-10-11(2)16(9-12(17)8-15-3)14-7-5-4-6-13(10)14/h4-7,12,15,17H,8-9H2,1-3H3
InChIKey
LRDKPZRTNVRHLP-UHFFFAOYSA-N
Canonic Smiles
CNCC(Cn1c2ccccc2c(c1C)C)O
Isomeric Smiles
c12n(c(c(c1cccc2)C)C)CC(CNC)O
Calculated Properties
JChem
Acid pKa
14.439229
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.188849
LogD (pH = 7.4)
-0.2996818
Log P
2.0139282
Molar Refractivity
70.919
Polarizability
28.540358
Polar Surface Area
37.19
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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