Molecule

ID:37528

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₉NO₄
Molecular Mass
277.31566
Exact Mass
277.13140809
Charge
0
InChI
InChI=1S/C15H19NO4/c1-14(12(17)18)9-16(10-15(14,2)13(19)20)8-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H,17,18)(H,19,20)/t14-,15+
InChIKey
RHJZEEUTPSIPKN-GASCZTMLSA-N
Canonic Smiles
OC(=O)[C@]1(C)CN(C[C@]1(C)C(=O)O)Cc1ccccc1
Isomeric Smiles
C1[C@]([C@](CN1Cc1ccccc1)(C)C(=O)O)(C)C(=O)O
Calculated Properties
JChem
Acid pKa
3.0801656
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-1.0989356
LogD (pH = 7.4)
-2.8348162
Log P
-0.61238974
Molar Refractivity
73.3155
Polarizability
28.744904
Polar Surface Area
77.84
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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