Molecule

ID:39551

General Information
Structure
MolImage
Molecular Formula
C₂₂H₂₅NO₄
Molecular Mass
367.4382
Exact Mass
367.17835829
Charge
0
InChI
InChI=1S/C22H25NO4/c1-3-4-13-20(21(24)25)23(2)22(26)27-14-19-17-11-7-5-9-15(17)16-10-6-8-12-18(16)19/h5-12,19-20H,3-4,13-14H2,1-2H3,(H,24,25)/t20-/m0/s1
InChIKey
RZZXDYZWHUAOEK-FQEVSTJZSA-N
Canonic Smiles
CCCC[C@H](N(C(=O)OCC1c2ccccc2c2c1cccc2)C)C(=O)O
Isomeric Smiles
[C@@H](CCCC)(N(C)C(=O)OCC1c2c(c3c1cccc3)cccc2)C(=O)O
Calculated Properties
JChem
Acid pKa
3.9568043
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.129658
LogD (pH = 7.4)
1.4973335
Log P
4.680653
Molar Refractivity
103.1998
Polarizability
41.36471
Polar Surface Area
66.84
Rotatable Bonds
8
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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