CID 11645423
Chemical Structure Depiction
ethyl 2-[[(Z)-(2-oxonaphthalen-1-ylidene)methyl]amino]benzoate
InChI=1S/C20H17NO3/c1-2-24-20(23)16-9-5-6-10-18(16)21-13-17-15-8-4-3-7-14(15)11-12-19(17)22/h3-13,21H,2H2,1H3/b17-13-
FEBWYWRZRUMJHL-LGMDPLHJSA-N
CCOC(=O)C1=CC=CC=C1N/C=C/2\C(=O)C=CC3=CC=CC=C32
C20H17NO3
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
319.4 g/mol
Property Name
XLogP3-AA
Property Value
4.5
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Property Name
Rotatable Bond Count
Property Value
5
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Exact Mass
Property Value
319.12084340 g/mol
Property Name
Monoisotopic Mass
Property Value
319.12084340 g/mol
Property Name
Topological Polar Surface Area
Property Value
55.4 A^2
Property Name
Heavy Atom Count
Property Value
24
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
537
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
0
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Property Name
Defined Bond Stereocenter Count
Property Value
1
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
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CONTENTS