Molecule

ID:31071

General Information
Structure
Molecular Formula
C₁₃H₁₅FN₂O₃
Molecular Mass
266.2682032
Exact Mass
266.10667057
Charge
0
InChI
InChI=1S/C13H15FN2O3/c14-10-3-1-2-9(6-10)8-16-5-4-15-13(19)11(16)7-12(17)18/h1-3,6,11H,4-5,7-8H2,(H,15,19)(H,17,18)
InChIKey
LNUINKOTEGBAPP-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CC1C(=O)NCCN1Cc1cccc(c1)F
Isomeric Smiles
N1(C(C(=O)NCC1)CC(=O)O)Cc1cc(F)ccc1
Calculated Properties
JChem
Acid pKa
3.287429
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.4807931
LogD (pH = 7.4)
-2.4691472
Log P
-1.424593
Molar Refractivity
66.1809
Polarizability
25.489288
Polar Surface Area
69.64
Rotatable Bonds
4
Lipinski's Rule of Five
true
Provided by Chembridge
H Acceptors
4
H Donor
2
Log P
-0.24
LOG S
-2.25
Polar Surface Area
69.64
Rotatable Bonds
4
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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