Molecule

ID:29212

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(12-14(13)2)18-11-10-17-15-6-4-3-5-7-15/h3-9,12,17H,10-11H2,1-2H3
InChIKey
NAPUSCGIJLYXMJ-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1C)OCCNc1ccccc1
Isomeric Smiles
c1(c(ccc(c1)OCCNc1ccccc1)C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.0977182
LogD (pH = 7.4)
4.116669
Log P
4.116916
Molar Refractivity
76.8864
Polarizability
28.99036
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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