Molecule

ID:28980

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₉NO
Molecular Mass
241.32816
Exact Mass
241.14666423
Charge
0
InChI
InChI=1S/C16H19NO/c1-13-3-7-15(8-4-13)17-11-12-18-16-9-5-14(2)6-10-16/h3-10,17H,11-12H2,1-2H3
InChIKey
UTQITHMVPMEITM-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)NCCOc1ccc(cc1)C
Isomeric Smiles
c1(NCCOc2ccc(cc2)C)ccc(cc1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.06671
LogD (pH = 7.4)
4.1162467
Log P
4.116916
Molar Refractivity
76.8864
Polarizability
28.989378
Polar Surface Area
21.26
Rotatable Bonds
5
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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