CID 29903336
PubChem CID
29903336
Structure
Molecular Formula
Status
Non-live
Molecular Weight
357.4 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
(2R)-3-(1H-indol-3-yl)-2-(naphthalene-2-carbonylamino)propanoate
InChI=1S/C22H18N2O3/c25-21(16-10-9-14-5-1-2-6-15(14)11-16)24-20(22(26)27)12-17-13-23-19-8-4-3-7-18(17)19/h1-11,13,20,23H,12H2,(H,24,25)(H,26,27)/p-1/t20-/m1/s1
IMROYEDZWIZGEE-HXUWFJFHSA-M
C1=CC=C2C=C(C=CC2=C1)C(=O)N[C@H](CC3=CNC4=CC=CC=C43)C(=O)[O-]
C22H17N2O3-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
357.4 g/mol
Property Name
XLogP3
Property Value
4.6
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
4
Property Name
Exact Mass
Property Value
357.12391741 g/mol
Property Name
Monoisotopic Mass
Property Value
357.12391741 g/mol
Property Name
Topological Polar Surface Area
Property Value
85 A^2
Property Name
Heavy Atom Count
Property Value
27
Property Name
Formal Charge
Property Value
-1
Property Name
Complexity
Property Value
546
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