Molecule

ID:128153

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₈N₂O₂
Molecular Mass
282.33702
Exact Mass
282.13682783
Charge
0
InChI
InChI=1S/C17H18N2O2/c1-19-9-11(17(20)21-2)6-13-12-4-3-5-14-16(12)10(8-18-14)7-15(13)19/h3-6,8,11,15,18H,7,9H2,1-2H3/t11-,15-/m1/s1
InChIKey
RNHDWLRHUJZABX-IAQYHMDHSA-N
Canonic Smiles
COC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3
Isomeric Smiles
O=C(OC)[C@@H]1C=C2c3cccc4c3c(c[nH]4)C[C@H]2N(C1)C
Calculated Properties
JChem
Acid pKa
17.017443
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.013495199
LogD (pH = 7.4)
1.6780413
Log P
2.0733836
Molar Refractivity
82.391
Polarizability
32.70867
Polar Surface Area
45.33
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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