Molecule

ID:51570

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₅FN₂O₂
Molecular Mass
250.2688032
Exact Mass
250.11175595
Charge
0
InChI
InChI=1S/C13H15FN2O2/c1-18-13(17)5-4-10-8-11(14)15-12(9-10)16-6-2-3-7-16/h4-5,8-9H,2-3,6-7H2,1H3/b5-4+
InChIKey
RZEPZLUMSUCULD-SNAWJCMRSA-N
Canonic Smiles
COC(=O)/C=C/c1cc(F)nc(c1)N1CCCC1
Isomeric Smiles
c1c(nc(cc1/C=C/C(=O)OC)N1CCCC1)F
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.9425678
LogD (pH = 7.4)
2.9425726
Log P
2.9425726
Molar Refractivity
69.1863
Polarizability
24.870808
Polar Surface Area
42.43
Rotatable Bonds
4
Lipinski's Rule of Five
true
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
References
Bioactivity
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