Chemical ID: 5035619

Cc1cccc(c1)C(=O)Nc2cc3cc(cc(c3oc2=O)Br)Br
Chemical ID:
5035619
Name [?]:
N-(6,8-dibromo-2-oxo-chromen-3-yl)-3-methyl-benzamide
SMILES [?]:
Cc1cccc(c1)C(=O)Nc2cc3cc(cc(c3oc2=O)Br)Br
InChi [?]:
InChI=1/C17H11Br2NO3/c1-9-3-2-4-10(5-9)16(21)20-14-7-11-6-12(18)8-13(19)15(11)23-17(14)22/h2-8H,1H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,4,3,5,7,14,12,16,2,6,13,15,17,11,18,8,20,23,22,10,9,21,19/rA:23nCCCCCCCCONCCCCCCCCOCOBrBr/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s10;d11;s12;s13;d14;s15;d16;d13s17;s18;s11s19;d20;s17;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H11Br2NO3
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.7868
Area:527.094
Solvation:-2.39056
Coulombic:-42.7447
Bond Count [?]
All:25
Single:16
Double:9
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:437.082
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.53
LogP (Chemaxon):6.52

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