Chemical ID: 4147236

c1ccc(cc1)CNC(=O)c2cc3ccccc3oc2=O
Chemical ID:
4147236
Name [?]:
N-benzyl-2-oxo-chromene-3-carboxamide
SMILES [?]:
c1ccc(cc1)CNC(=O)c2cc3ccccc3oc2=O
InChi [?]:
InChI=1/C17H13NO3/c19-16(18-11-12-6-2-1-3-7-12)14-10-13-8-4-5-9-15(13)21-17(14)20/h1-10H,11H2,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,2,6,15,16,3,5,14,17,12,7,4,13,11,18,9,20,8,10,21,19/E:(2,3)(6,7)/rA:21nCCCCCCCNCOCCCCCCCCOCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;d11;s12;s13;d14;s15;d16;d13s17;s18;s11s19;d20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H13NO3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.27933
Area:475.755
Solvation:-3.61454
Coulombic:-41.7018
Bond Count [?]
All:23
Single:14
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:279.29
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.81
LogP (Chemaxon):2.79

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue