Molecule

ID:77025

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₈N₂O₂
Molecular Mass
282.33702
Exact Mass
282.13682783
Charge
0
InChI
InChI=1S/C17H18N2O2/c1-12-17(20)19(11-10-13-6-3-2-4-7-13)15-9-5-8-14(18)16(15)21-12/h2-9,12H,10-11,18H2,1H3
InChIKey
VJBKLNIKMNILAN-UHFFFAOYSA-N
Canonic Smiles
CC1Oc2c(N)cccc2N(C1=O)CCc1ccccc1
Isomeric Smiles
N1(c2cccc(c2OC(C1=O)C)N)CCc1ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.3600874
LogD (pH = 7.4)
2.371505
Log P
2.3716526
Molar Refractivity
82.5029
Polarizability
31.414404
Polar Surface Area
55.56
Rotatable Bonds
3
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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