CID 39346318
PubChem CID
39346318
Structure
Molecular Formula
Status
Non-live
Molecular Weight
241.71 g/mol
Dates
- Create:2009-05-29
Chemical Structure Depiction
(2S)-2-chloro-N-(3-propoxyphenyl)propanamide
InChI=1S/C12H16ClNO2/c1-3-7-16-11-6-4-5-10(8-11)14-12(15)9(2)13/h4-6,8-9H,3,7H2,1-2H3,(H,14,15)/t9-/m0/s1
ZZBKGJXCECLXNN-VIFPVBQESA-N
CCCOC1=CC=CC(=C1)NC(=O)[C@H](C)Cl
C12H16ClNO2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
241.71 g/mol
Property Name
XLogP3
Property Value
3.4
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Property Name
Rotatable Bond Count
Property Value
5
Property Name
Exact Mass
Property Value
241.0869564 g/mol
Property Name
Monoisotopic Mass
Property Value
241.0869564 g/mol
Property Name
Topological Polar Surface Area
Property Value
38.3 A^2
Property Name
Heavy Atom Count
Property Value
16
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
223
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
Old substance
CONTENTS