Chemical ID: 4774664

c1ccc2c(c1)N(C(=O)CO2)C(=O)c3ccc(cc3)Cl
Chemical ID:
4774664
Name [?]:
5-(4-chlorobenzoyl)-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-4-one
SMILES [?]:
c1ccc2c(c1)N(C(=O)CO2)C(=O)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C15H10ClNO3/c16-11-7-5-10(6-8-11)15(19)17-12-3-1-2-4-13(12)20-9-14(17)18/h1-8H,9H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,15,19,16,18,10,14,17,5,4,8,12,20,7,9,13,11/E:(5,6)(7,8)/rA:20nCCCCCCNCOCOCOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s4s10;s7;d12;s12;s14;d15;s16;d17;d14s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H10ClNO3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:7.14841
Area:431.633
Solvation:-3.64242
Coulombic:-35.4078
Bond Count [?]
All:22
Single:14
Double:8
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:287.698
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.0
LogP (Chemaxon):2.6

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