ChemDB: Chemical Search
Download
Chemical ID: 5787357
Chemical ID:
5787357
Name [?]:
None
SMILES [?]:
c1cc(ccc1c2csc3n2cnc-4ncnc34)Cl
InChi [?]:
InChI=1/C13H7ClN4S/c14-9-3-1-8(2-4-9)10-5-19-13-11-12(16-6-15-11)17-7-18(10)13/h1-7H
InChi Info:
AuxInfo=1/0/N:1,5,2,4,8,16,12,6,3,7,18,14,10,19,17,15,13,11,9/E:(1,2)(3,4)/rA:19nCCCCCCCCSCNCNCNCNCCl/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;s9;s7s10;s11;d12;s13;d14;s15;d16;d10s14s17;s3;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H7ClN4S |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.27579 |
Area: | 443.034 |
Solvation: | -1.80006 |
Coulombic: | -24.6007 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 286.74 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 2.96 |
LogP (Chemaxon): | 2.88 |
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 |
---|