Molecule

ID:11612

General Information
Structure
Molecular Formula
C₁₉H₁₉NO
Molecular Mass
277.36026
Exact Mass
277.14666423
Charge
0
InChI
InChI=1S/C19H19NO/c1-3-8-16(9-4-1)14-19(17-10-5-2-6-11-17)20-15-18-12-7-13-21-18/h1-13,19-20H,14-15H2
InChIKey
VMNIIKOXLGLGFQ-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)C(Cc1ccccc1)NCc1ccco1
Isomeric Smiles
c1cc(oc1)CNC(Cc1ccccc1)c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.8676673
LogD (pH = 7.4)
3.6015122
Log P
4.389216
Molar Refractivity
85.3473
Polarizability
33.40921
Polar Surface Area
25.17
Rotatable Bonds
6
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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