Molecule

ID:23379

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₈N₂O
Molecular Mass
254.32692
Exact Mass
254.14191321
Charge
0
InChI
InChI=1S/C16H18N2O/c1-3-12-7-4-6-11(2)15(12)18-16(19)13-8-5-9-14(17)10-13/h4-10H,3,17H2,1-2H3,(H,18,19)
InChIKey
IAMJZDLVCHIRRS-UHFFFAOYSA-N
Canonic Smiles
CCc1cccc(c1NC(=O)c1cccc(c1)N)C
Isomeric Smiles
N(C(=O)c1cc(N)ccc1)c1c(cccc1CC)C
Calculated Properties
JChem
Acid pKa
12.362542
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.705483
LogD (pH = 7.4)
3.7075846
Log P
3.707616
Molar Refractivity
80.9753
Polarizability
29.460999
Polar Surface Area
55.12
Rotatable Bonds
3
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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