CID 7038190
PubChem CID
7038190
Structure
Molecular Formula
Status
Non-live
Molecular Weight
299.30 g/mol
Dates
- Create:2006-07-29
Chemical Structure Depiction
(1R,2R,3S,4S)-3-(benzamidocarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate
InChI=1S/C16H16N2O4/c19-14(9-4-2-1-3-5-9)17-18-15(20)12-10-6-7-11(8-10)13(12)16(21)22/h1-7,10-13H,8H2,(H,17,19)(H,18,20)(H,21,22)/p-1/t10-,11+,12+,13-/m1/s1
OIQGZWBQLJOIID-MROQNXINSA-M
C1[C@H]2C=C[C@@H]1[C@H]([C@H]2C(=O)NNC(=O)C3=CC=CC=C3)C(=O)[O-]
C16H15N2O4-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
299.30 g/mol
Property Name
XLogP3-AA
Property Value
1.9
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Property Name
Rotatable Bond Count
Property Value
2
Property Name
Exact Mass
Property Value
299.10318196 g/mol
Property Name
Monoisotopic Mass
Property Value
299.10318196 g/mol
Property Name
Topological Polar Surface Area
Property Value
98.3 A^2
Property Name
Heavy Atom Count
Property Value
22
Property Name
Formal Charge
Property Value
-1
Property Name
Complexity
Property Value
505
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
4
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