Molecule

ID:91553

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₇NO
Molecular Mass
275.34438
Exact Mass
275.13101417
Charge
0
InChI
InChI=1S/C19H17NO/c20-19-12-5-4-11-18(19)16-9-6-10-17(13-16)21-14-15-7-2-1-3-8-15/h1-13H,14,20H2
InChIKey
ICLWIOSPYJMJLC-UHFFFAOYSA-N
Canonic Smiles
Nc1ccccc1c1cccc(c1)OCc1ccccc1
Isomeric Smiles
Nc1ccccc1c1cc(ccc1)OCc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.349443
LogD (pH = 7.4)
4.358234
Log P
4.358347
Molar Refractivity
86.9704
Polarizability
34.670547
Polar Surface Area
35.25
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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