Molecule

ID:59613

General Information
Structure
Molecular Formula
C₁₇H₁₈N₂
Molecular Mass
250.33822
Exact Mass
250.14699859
Charge
0
InChI
InChI=1S/C17H18N2/c1-13(14-7-3-2-4-8-14)18-11-15-12-19-17-10-6-5-9-16(15)17/h2-10,12-13,18-19H,11H2,1H3
InChIKey
QRDBVPJGBQYKAS-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccccc1)NCc1c[nH]c2c1cccc2
Isomeric Smiles
c1(c[nH]c2c1cccc2)CNC(c1ccccc1)C
Calculated Properties
JChem
Acid pKa
15.975705
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
0.6187742
LogD (pH = 7.4)
1.8074354
Log P
3.7714047
Molar Refractivity
79.4239
Polarizability
32.34614
Polar Surface Area
27.82
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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