CID 40560740
PubChem CID
40560740
Structure
Molecular Formula
Status
Non-live
Molecular Weight
270.30 g/mol
Dates
- Create:2009-05-30
Chemical Structure Depiction
(2S)-2-[(4-fluorobenzoyl)amino]-4-methylsulfanylbutanoate
InChI=1S/C12H14FNO3S/c1-18-7-6-10(12(16)17)14-11(15)8-2-4-9(13)5-3-8/h2-5,10H,6-7H2,1H3,(H,14,15)(H,16,17)/p-1/t10-/m0/s1
YOAYWSNDZYTWLI-JTQLQIEISA-M
CSCC[C@@H](C(=O)[O-])NC(=O)C1=CC=C(C=C1)F
C12H13FNO3S-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
270.30 g/mol
Property Name
XLogP3-AA
Property Value
2.6
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
5
Property Name
Rotatable Bond Count
Property Value
5
Property Name
Exact Mass
Property Value
270.06001761 g/mol
Property Name
Monoisotopic Mass
Property Value
270.06001761 g/mol
Property Name
Topological Polar Surface Area
Property Value
94.5 A^2
Property Name
Heavy Atom Count
Property Value
18
Property Name
Formal Charge
Property Value
-1
Property Name
Complexity
Property Value
288
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
1
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
1
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
CONTENTS