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Chemical ID: 4819839
Chemical ID:
4819839
Name [?]:
3-chloro-N-[5-[(2-chlorophenyl)methyl]thiazol-2-yl]-propanamide
SMILES [?]:
c1ccc(c(c1)Cc2cnc(s2)NC(=O)CCCl)Cl
InChi [?]:
InChI=1/C13H12Cl2N2OS/c14-6-5-12(18)17-13-16-8-10(19-13)7-9-3-1-2-4-11(9)15/h1-4,8H,5-7H2,(H,16,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,16,17,7,9,5,8,4,14,11,18,19,10,13,15,12/rA:19nCCCCCCCCCNCSNCOCCClCl/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;s8s11;s11;s13;d14;s14;s16;s17;s4;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H12Cl2N2OS |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.45812 |
Area: | 500.723 |
Solvation: | -3.05995 |
Coulombic: | -26.1687 |
Bond Count [?]
All: | 20 |
Single: | 14 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 315.219 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.45 |
LogP (Chemaxon): | 3.6 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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