Molecule

ID:39368

General Information
Structure
Molecular Formula
C₁₄H₁₉NO₄
Molecular Mass
265.30496
Exact Mass
265.13140809
Charge
0
InChI
InChI=1S/C14H19NO4/c1-14(2,3)19-13(18)15-11(9-12(16)17)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,15,18)(H,16,17)/t11-/m0/s1
InChIKey
JTNQFJPZRTURSI-NSHDSACASA-N
Canonic Smiles
O=C(OC(C)(C)C)N[C@H](c1ccccc1)CC(=O)O
Isomeric Smiles
c1(ccccc1)[C@H](CC(=O)O)NC(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
4.4884467
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.3152822
LogD (pH = 7.4)
-0.4524257
Log P
2.3658748
Molar Refractivity
69.8586
Polarizability
27.496412
Polar Surface Area
75.63
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation