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Chemical ID: 7356778
Chemical ID:
7356778
Name [?]:
2-chloro-N-[5-[(2-chlorophenyl)methyl]thiazol-2-yl]-propanamide
SMILES [?]:
CC(C(=O)Nc1ncc(s1)Cc2ccccc2Cl)Cl
InChi [?]:
InChI=1/C13H12Cl2N2OS/c1-8(14)12(18)17-13-16-7-10(19-13)6-9-4-2-3-5-11(9)15/h2-5,7-8H,6H2,1H3,(H,16,17,18)
InChi Info:
AuxInfo=1/1/N:1,14,15,13,16,11,8,2,12,9,17,3,6,19,18,7,5,4,10/rA:19cCCCONCNCCSCCCCCCCClCl/rB:s1;s2;d3;s3;s5;d6;s7;d8;s6s9;s9;s11;s12;d13;s14;d15;d12s16;s17;s2;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H12Cl2N2OS |
All Atoms: | 31 |
Heavy Atoms: | 19 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.19564 |
Area: | 494.554 |
Solvation: | -3.16823 |
Coulombic: | -27.0476 |
Bond Count [?]
All: | 20 |
Single: | 14 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 315.219 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.38 |
LogP (Chemaxon): | 3.96 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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