Molecule

ID:83919

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₅NO₄
Molecular Mass
319.3954
Exact Mass
319.17835829
Charge
0
InChI
InChI=1S/C18H25NO4/c1-17(2,3)23-16(22)19-18(15(20)21)11-9-14(10-12-18)13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,19,22)(H,20,21)/t14-,18+
InChIKey
MCJLMTMOGBGTAS-UJKQEGAGSA-N
Canonic Smiles
OC(=O)[C@@]1(CC[C@H](CC1)c1ccccc1)NC(=O)OC(C)(C)C
Isomeric Smiles
N([C@]1(C(=O)O)CC[C@H](c2ccccc2)CC1)C(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
4.1250544
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.4030082
LogD (pH = 7.4)
0.70983994
Log P
3.7928627
Molar Refractivity
86.574
Polarizability
34.046577
Polar Surface Area
75.63
Rotatable Bonds
5
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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