Molecule

ID:21883

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈N₂O₃
Molecular Mass
262.30432
Exact Mass
262.13174245
Charge
0
InChI
InChI=1S/C14H18N2O3/c1-10-4-2-3-5-11(10)9-16-7-6-15-14(19)12(16)8-13(17)18/h2-5,12H,6-9H2,1H3,(H,15,19)(H,17,18)
InChIKey
DOQDFWIQOVQQIL-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CC1C(=O)NCCN1Cc1ccccc1C
Isomeric Smiles
N1(C(C(=O)NCC1)CC(=O)O)Cc1c(C)cccc1
Calculated Properties
JChem
Acid pKa
3.6201885
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.4473
LogD (pH = 7.4)
-1.807936
Log P
-1.4522057
Molar Refractivity
71.0057
Polarizability
27.513588
Polar Surface Area
69.64
Rotatable Bonds
4
Lipinski's Rule of Five
true
Provided by Chembridge
H Acceptors
4
H Donor
2
Log P
0.16
LOG S
-2.56
Polar Surface Area
69.64
Rotatable Bonds
4
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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