Molecule

ID:20342

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₇NO
Molecular Mass
263.33368
Exact Mass
263.13101417
Charge
0
InChI
InChI=1S/C18H17NO/c1-13-11-16(19)9-10-18(13)20-12-15-7-4-6-14-5-2-3-8-17(14)15/h2-11H,12,19H2,1H3
InChIKey
ARXQEEBHPXJTNQ-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)C)OCc1cccc2c1cccc2
Isomeric Smiles
c1(c(OCc2c3c(ccc2)cccc3)ccc(c1)N)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.0061536
LogD (pH = 7.4)
4.2106647
Log P
4.21402
Molar Refractivity
83.3256
Polarizability
32.970108
Polar Surface Area
35.25
Rotatable Bonds
3
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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