Molecule

ID:23023

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₈N₂O
Molecular Mass
254.32692
Exact Mass
254.14191321
Charge
0
InChI
InChI=1S/C16H18N2O/c1-12-11-14(17)8-9-15(12)18-16(19)10-7-13-5-3-2-4-6-13/h2-6,8-9,11H,7,10,17H2,1H3,(H,18,19)
InChIKey
KZWPGGOSJIRKGZ-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1ccc(cc1C)N)CCc1ccccc1
Isomeric Smiles
N(c1c(cc(N)cc1)C)C(=O)CCc1ccccc1
Calculated Properties
JChem
Acid pKa
16.21491
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.1525393
LogD (pH = 7.4)
3.1740785
Log P
3.17436
Molar Refractivity
79.9855
Polarizability
29.564287
Polar Surface Area
55.12
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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