Chemical ID: 7671026

c1ccc(c(c1)C(=O)Nc2ccc(c(c2)Cl)NC(=O)c3ccco3)Br
Chemical ID:
7671026
Name [?]:
None
SMILES [?]:
c1ccc(c(c1)C(=O)Nc2ccc(c(c2)Cl)NC(=O)c3ccco3)Br
InChi [?]:
InChI=1/C18H12BrClN2O3/c19-13-5-2-1-4-12(13)17(23)21-11-7-8-15(14(20)10-11)22-18(24)16-6-3-9-25-16/h1-10H,(H,21,23)(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,2,22,6,3,21,11,12,23,15,10,5,4,14,13,20,7,18,25,16,9,17,8,19,24/rA:25nCCCCCCCONCCCCCCClNCOCCCCOBr/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;d11;s12;d13;d10s14;s14;s13;s17;d18;s18;d20;s21;d22;s20s23;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H12BrClN2O3
All Atoms:37
Heavy Atoms:25
Chiral Atoms:None
ZAP Information [?]
Total:10.8284
Area:563.938
Solvation:-3.27006
Coulombic:-52.3107
Bond Count [?]
All:27
Single:17
Double:10
Rotors:6
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.66
LogP (Chemaxon):None

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