ChemDB: Chemical Search
Download
Chemical ID: 6217402
Chemical ID:
6217402
Name [?]:
N-[4-(2,5-dichlorophenyl)thiazol-2-yl]cyclopropanecarboxamide
SMILES [?]:
c1cc(c(cc1Cl)c2csc(n2)NC(=O)C3CC3)Cl
InChi [?]:
InChI=1/C13H10Cl2N2OS/c14-8-3-4-10(15)9(5-8)11-6-19-13(16-11)17-12(18)7-1-2-7/h3-7H,1-2H2,(H,16,17,18)
InChi Info:
AuxInfo=1/1/N:17,18,1,2,5,9,16,6,4,3,8,14,11,7,19,12,13,15,10/E:(1,2)/rA:19nCCCCCCClCCSCNNCOCCCCl/rB:s1;d2;s3;d4;d1s5;s6;s4;d8;s9;s10;s8d11;s11;s13;d14;s14;s16;s16s17;s3;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H10Cl2N2OS |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.75058 |
Area: | 487.083 |
Solvation: | -2.42649 |
Coulombic: | -26.8084 |
Bond Count [?]
All: | 21 |
Single: | 15 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 313.203 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.56 |
LogP (Chemaxon): | 4.44 |
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 |
---|