Chemical ID: 7706577

c1ccc(c(c1)C=NNC(=O)CNC(=O)c2ccccc2I)O
Chemical ID:
7706577
Name [?]:
None
SMILES [?]:
c1ccc(c(c1)C=NNC(=O)CNC(=O)c2ccccc2I)O
InChi [?]:
InChI=1/C16H14IN3O3/c17-13-7-3-2-6-12(13)16(23)18-10-15(22)20-19-9-11-5-1-4-8-14(11)21/h1-9,21H,10H2,(H,18,23)(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,18,19,2,6,17,20,3,7,12,5,16,21,4,10,14,22,13,8,9,23,11,15/rA:23nCCCCCCCNNCOCNCOCCCCCCIO/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;s9;d10;s10;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s21;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H14IN3O3
All Atoms:37
Heavy Atoms:23
Chiral Atoms:None
ZAP Information [?]
Total:8.40174
Area:554.272
Solvation:-5.45506
Coulombic:-55.9264
Bond Count [?]
All:24
Single:15
Double:9
Rotors:7
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.83
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