Molecule

ID:35163

General Information
Structure
MolImage
Molecular Formula
C₂₂H₂₄N₂O₂
Molecular Mass
348.43816
Exact Mass
348.18377802
Charge
0
InChI
InChI=1S/C22H24N2O2/c25-20(26)7-6-18-14-24(19-4-2-1-3-5-19)23-21(18)22-11-15-8-16(12-22)10-17(9-15)13-22/h1-7,14-17H,8-13H2,(H,25,26)/b7-6+
InChIKey
IHDWVHDNOMJBOO-VOTSOKGWSA-N
Canonic Smiles
OC(=O)/C=C/c1cn(nc1C12CC3CC(C2)CC(C1)C3)c1ccccc1
Isomeric Smiles
n1c(C23CC4CC(C2)CC(C3)C4)c(cn1c1ccccc1)/C=C/C(=O)O
Calculated Properties
JChem
Acid pKa
4.3818383
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.8058515
LogD (pH = 7.4)
2.0527933
Log P
4.956397
Molar Refractivity
101.7577
Polarizability
39.424835
Polar Surface Area
55.12
Rotatable Bonds
4
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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