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Chemical ID: 7351393
Chemical ID:
7351393
Name [?]:
4-(2-chlorophenyl)-2-phenyl-thiazole
SMILES [?]:
c1ccc(cc1)c2nc(cs2)c3ccccc3Cl
InChi [?]:
InChI=1/C15H10ClNS/c16-13-9-5-4-8-12(13)14-10-18-15(17-14)11-6-2-1-3-7-11/h1-10H
InChi Info:
AuxInfo=1/0/N:1,2,6,14,15,3,5,13,16,10,4,12,17,9,7,18,8,11/E:(2,3)(6,7)/rA:18nCCCCCCCNCCSCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;d9;s7s10;s9;s12;d13;s14;d15;d12s16;s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H10ClNS |
All Atoms: | 28 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.56711 |
Area: | 435.969 |
Solvation: | -1.33211 |
Coulombic: | -9.6767 |
Bond Count [?]
All: | 20 |
Single: | 12 |
Double: | 8 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 271.765 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 5.02 |
LogP (Chemaxon): | 5.29 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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