Molecule

ID:22993

General Information
Structure
Molecular Formula
C₁₉H₂₄N₂O₂
Molecular Mass
312.40606
Exact Mass
312.18377802
Charge
0
InChI
InChI=1S/C19H24N2O2/c1-12(2)15-8-10-16(11-9-15)23-14(4)19(22)21-18-7-5-6-17(20)13(18)3/h5-12,14H,20H2,1-4H3,(H,21,22)
InChIKey
KGDVKWYEVBGOSD-UHFFFAOYSA-N
Canonic Smiles
O=C(C(Oc1ccc(cc1)C(C)C)C)Nc1cccc(c1C)N
Isomeric Smiles
C(=O)(Nc1c(c(N)ccc1)C)C(Oc1ccc(cc1)C(C)C)C
Calculated Properties
JChem
Acid pKa
12.807929
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
4.21788
LogD (pH = 7.4)
4.2260222
Log P
4.2261286
Molar Refractivity
95.3094
Polarizability
35.676125
Polar Surface Area
64.35
Rotatable Bonds
5
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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