Molecule

ID:23004

General Information
Structure
MolImage
Molecular Formula
C₂₃H₃₂N₂O₂
Molecular Mass
368.51238
Exact Mass
368.24637827
Charge
0
InChI
InChI=1S/C23H32N2O2/c1-15-18(24)9-8-10-19(15)25-21(26)14-27-20-12-11-16(22(2,3)4)13-17(20)23(5,6)7/h8-13H,14,24H2,1-7H3,(H,25,26)
InChIKey
BVEHSEQHORAUFI-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1cccc(c1C)N)COc1ccc(cc1C(C)(C)C)C(C)(C)C
Isomeric Smiles
c1(cc(C(C)(C)C)ccc1OCC(=O)Nc1c(c(N)ccc1)C)C(C)(C)C
Calculated Properties
JChem
Acid pKa
12.601742
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
5.4951444
LogD (pH = 7.4)
5.5023723
Log P
5.5024676
Molar Refractivity
113.9565
Polarizability
42.97293
Polar Surface Area
64.35
Rotatable Bonds
6
Lipinski's Rule of Five
false
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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