Molecule

ID:14458

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₉NO
Molecular Mass
241.32816
Exact Mass
241.14666423
Charge
0
InChI
InChI=1S/C16H19NO/c1-13-8-9-16(14(2)12-13)17-10-11-18-15-6-4-3-5-7-15/h3-9,12,17H,10-11H2,1-2H3
InChIKey
BVJMGXZIJYZNHC-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1)C)NCCOc1ccccc1
Isomeric Smiles
c1(c(cc(cc1)C)C)NCCOc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.072703
LogD (pH = 7.4)
4.1163306
Log P
4.116916
Molar Refractivity
76.8864
Polarizability
28.989946
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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