Molecule

ID:17401

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₆N₂O
Molecular Mass
264.32174
Exact Mass
264.12626314
Charge
0
InChI
InChI=1S/C17H16N2O/c20-12-7-5-11(6-8-12)16-17-14(9-10-18-16)13-3-1-2-4-15(13)19-17/h1-8,16,18-20H,9-10H2
InChIKey
QENZPDLDEMHHOC-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc(cc1)C1NCCc2c1[nH]c1c2cccc1
Isomeric Smiles
c12c(c3c([nH]2)cccc3)CCNC1c1ccc(cc1)O
Calculated Properties
JChem
Acid pKa
9.512157
H Acceptors
2
H Donor
3
LogD (pH = 5.5)
0.3984561
LogD (pH = 7.4)
2.110709
Log P
2.86655
Molar Refractivity
79.8433
Polarizability
32.039425
Polar Surface Area
48.05
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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