ChemDB: Chemical Search
Download
Chemical ID: 3855518
Chemical ID:
3855518
Name [?]:
None
SMILES [?]:
c1cc(sc1)C2=NCC(=O)Nc3c2c4c(s3)CCCC4
InChi [?]:
InChI=1/C15H14N2OS2/c18-12-8-16-14(11-6-3-7-19-11)13-9-4-1-2-5-10(9)20-15(13)17-12/h3,6-7H,1-2,4-5,8H2,(H,17,18)
InChi Info:
AuxInfo=1/1/N:19,18,1,20,17,2,5,8,14,15,3,9,13,6,12,7,11,10,4,16/rA:20nCCCSCCNCCONCCCCSCCCC/rB:s1;d2;s3;d1s4;s3;d6;s7;s8;d9;s9;s11;s6d12;s13;d14;s12s15;s15;s17;s18;s14s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14N2OS2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.03735 |
Area: | 446.115 |
Solvation: | -2.11554 |
Coulombic: | -28.1797 |
Bond Count [?]
All: | 23 |
Single: | 17 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 302.417 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 0.9 |
LogP (Chemaxon): | 2.55 |
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 |
---|