Molecule

ID:112246

General Information

Structure

MolImage

Molecular Formula

C₂₃H₁₇N

Molecular Mass

307.38778

Exact Mass

307.13609955

Charge

0

InChI

InChI=1S/C23H17N/c1-4-10-18(11-5-1)21-16-22(19-12-6-2-7-13-19)24-23(17-21)20-14-8-3-9-15-20/h1-17H

InChIKey

FRZHWQQBYDFNTH-UHFFFAOYSA-N

Canonic Smiles

c1ccc(cc1)c1cc(nc(c1)c1ccccc1)c1ccccc1

Isomeric Smiles

c1ccc(cc1)c1cc(nc(c1)c1ccccc1)c1ccccc1

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

6.4601245

LogD (pH = 7.4)

6.4688377

Log P

6.4689503

Molar Refractivity

98.5657

Polarizability

42.84078

Polar Surface Area

12.89

Rotatable Bonds

3

Lipinski's Rule of Five

false

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

References

Bioactivity