Chemical ID: 6351369

c1ccc(cc1)c2csc(n2)NC(=O)c3cccc(c3)Cl
Chemical ID:
6351369
Name [?]:
3-chloro-N-(4-phenylthiazol-2-yl)-benzamide
SMILES [?]:
c1ccc(cc1)c2csc(n2)NC(=O)c3cccc(c3)Cl
InChi [?]:
InChI=1/C16H11ClN2OS/c17-13-8-4-7-12(9-13)15(20)19-16-18-14(10-21-16)11-5-2-1-3-6-11/h1-10H,(H,18,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,6,17,3,5,16,18,20,8,4,15,19,7,13,10,21,11,12,14,9/E:(2,3)(5,6)/rA:21nCCCCCCCCSCNNCOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;s9;s7d10;s10;s12;d13;s13;s15;d16;s17;d18;d15s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H11ClN2OS
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:10.5604
Area:512.988
Solvation:-2.26431
Coulombic:-30.0104
Bond Count [?]
All:23
Single:14
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:314.79
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.45
LogP (Chemaxon):4.96

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