Molecule

ID:118421

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₆N₂O
Molecular Mass
252.31104
Exact Mass
252.12626314
Charge
0
InChI
InChI=1S/C16H16N2O/c17-15-7-6-12-8-9-18(11-14(12)10-15)16(19)13-4-2-1-3-5-13/h1-7,10H,8-9,11,17H2
InChIKey
CQTBTRDYNDQWRD-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc2c(c1)CN(CC2)C(=O)c1ccccc1
Isomeric Smiles
N1(C(=O)c2ccccc2)Cc2c(CC1)ccc(c2)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.1904473
LogD (pH = 7.4)
2.2064657
Log P
2.2066739
Molar Refractivity
77.5524
Polarizability
28.691435
Polar Surface Area
46.33
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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