Molecule

ID:136969

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₁NO₄
Molecular Mass
267.32084
Exact Mass
267.14705816
Charge
0
InChI
InChI=1S/C10H17N.C4H4O4/c11-10-4-7-1-8(5-10)3-9(2-7)6-10;5-3(6)1-2-4(7)8/h7-9H,1-6,11H2;1-2H,(H,5,6)(H,7,8)/t7-,8+,9-,10-;
InChIKey
FCPWWNYHIIPYKE-SOVZANNPSA-N
Canonic Smiles
N[C@]12C[C@H]3C[C@@H](C2)C[C@@H](C1)C3.OC(=O)/C=C/C(=O)O
Isomeric Smiles
C1[C@@H]2C[C@]3(C[C@@H](C2)C[C@@H]1C3)N.C(=C\C(=O)O)/C(=O)O
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.5643042
LogD (pH = 7.4)
-1.3837394
Log P
1.4659475
Molar Refractivity
45.5356
Polarizability
18.504875
Polar Surface Area
26.02
Rotatable Bonds
2
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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