Molecule

ID:128407

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₃NO₂
Molecular Mass
297.39142
Exact Mass
297.17287898
Charge
0
InChI
InChI=1S/C19H23NO2/c1-18-10-8-15(21)17(20)14(18)4-3-11-12-5-6-16(22)19(12,2)9-7-13(11)18/h3-4,8,10-13H,5-7,9,20H2,1-2H3/t11-,12-,13-,18+,19-/m0/s1
InChIKey
DAKHYLIFCYPHQW-KZQROQTASA-N
Canonic Smiles
O=C1C=C[C@]2(C(=C1N)C=C[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC2=O)C)C
Isomeric Smiles
O=C1C=C[C@]2(C(=C1N)C=C[C@H]1[C@H]3[C@@](C(=O)CC3)(CC[C@H]21)C)C
Calculated Properties
JChem
Acid pKa
19.911358
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.4088676
LogD (pH = 7.4)
2.4090123
Log P
2.4090142
Molar Refractivity
89.4423
Polarizability
33.364677
Polar Surface Area
60.16
Rotatable Bonds
0
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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