Chemical ID: 7708348

c1ccc(c(c1)C=NNC(=O)c2ccccc2Br)OCc3ccc(cc3Cl)Cl
Chemical ID:
7708348
Name [?]:
None
SMILES [?]:
c1ccc(c(c1)C=NNC(=O)c2ccccc2Br)OCc3ccc(cc3Cl)Cl
InChi [?]:
InChI=1/C21H15BrCl2N2O2/c22-18-7-3-2-6-17(18)21(27)26-25-12-14-5-1-4-8-20(14)28-13-15-9-10-16(23)11-19(15)24/h1-12H,13H2,(H,26,27)
InChi Info:
AuxInfo=1/1/N:1,14,15,2,6,13,16,3,22,23,25,7,20,5,21,24,12,17,26,4,10,18,28,27,8,9,11,19/rA:28nCCCCCCCNNCOCCCCCCBrOCCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;s4;s19;s20;s21;d22;s23;d24;d21s25;s26;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H15BrCl2N2O2
All Atoms:43
Heavy Atoms:28
Chiral Atoms:None
ZAP Information [?]
Total:10.5259
Area:606.223
Solvation:-4.62964
Coulombic:-29.1925
Bond Count [?]
All:30
Single:19
Double:11
Rotors:7
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:7.66
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