Chemical ID: 5269983

Cn1cccc1C=C2C(=O)N=C(S2)Nc3ccc(cc3)Cl
Chemical ID:
5269983
Name [?]:
2-(4-chlorophenyl)amino-5-[(1-methylpyrrol-2-yl)methylene]thiazol-4-one
SMILES [?]:
Cn1cccc1C=C2C(=O)N=C(S2)Nc3ccc(cc3)Cl
InChi [?]:
InChI=1/C15H12ClN3OS/c1-19-8-2-3-12(19)9-13-14(20)18-15(21-13)17-11-6-4-10(16)5-7-11/h2-9H,1H3,(H,17,18,20)
InChi Info:
AuxInfo=1/1/N:1,4,5,17,19,16,20,3,7,18,15,6,8,9,12,21,14,11,2,10,13/E:(4,5)(6,7)/rA:21nCNCCCCCCCONCSNCCCCCCCl/rB:s1;s2;d3;s4;s2d5;s6;w7;s8;d9;s9;d11;s8s12;s12;s14;s15;d16;s17;d18;d15s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H12ClN3OS
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.99747
Area:495.856
Solvation:-2.39892
Coulombic:-34.1244
Bond Count [?]
All:23
Single:15
Double:8
Rotors:3
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:317.794
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.09
LogP (Chemaxon):3.74

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