Molecule

ID:118343

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₈N₂O₂
Molecular Mass
282.33702
Exact Mass
282.13682783
Charge
0
InChI
InChI=1S/C17H18N2O2/c1-21-15-8-5-13(6-9-15)17(20)19-10-2-3-12-4-7-14(18)11-16(12)19/h4-9,11H,2-3,10,18H2,1H3
InChIKey
ZWZJHUVUMNHCHW-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)C(=O)N1CCCc2c1cc(N)cc2
Isomeric Smiles
N1(C(=O)c2ccc(cc2)OC)c2cc(N)ccc2CCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.4200313
LogD (pH = 7.4)
2.4269674
Log P
2.4270566
Molar Refractivity
83.7816
Polarizability
31.385078
Polar Surface Area
55.56
Rotatable Bonds
2
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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