Molecule

ID:21639

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈N₂O₃
Molecular Mass
262.30432
Exact Mass
262.13174245
Charge
0
InChI
InChI=1S/C14H18N2O3/c1-10-3-2-4-11(7-10)9-16-6-5-15-14(19)12(16)8-13(17)18/h2-4,7,12H,5-6,8-9H2,1H3,(H,15,19)(H,17,18)
InChIKey
SNRZZMQDPXZXDN-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CC1C(=O)NCCN1Cc1cccc(c1)C
Isomeric Smiles
N1(C(C(=O)NCC1)CC(=O)O)Cc1cc(ccc1)C
Calculated Properties
JChem
Acid pKa
3.620246
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.3745551
LogD (pH = 7.4)
-1.8351514
Log P
-1.3766428
Molar Refractivity
71.0057
Polarizability
27.51337
Polar Surface Area
69.64
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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