ChemDB: Chemical Search
Download
Chemical ID: 7706577
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.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|