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Chemical ID: 4978597
Chemical ID:
4978597
Name [?]:
4-(2,4-dichlorophenyl)thiazole-2-carbaldehyde
SMILES [?]:
c1cc(c(cc1Cl)Cl)c2csc(n2)C=O
InChi [?]:
InChI=1/C10H5Cl2NOS/c11-6-1-2-7(8(12)3-6)9-5-15-10(4-14)13-9/h1-5H
InChi Info:
AuxInfo=1/0/N:1,2,5,14,10,6,3,4,9,12,7,8,13,15,11/rA:15nCCCCCCClClCCSCNCO/rB:s1;d2;s3;d4;d1s5;s6;s4;s3;d9;s10;s11;s9d12;s12;d14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H5Cl2NOS |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.98417 |
Area: | 414.588 |
Solvation: | -2.38053 |
Coulombic: | -14.6379 |
Bond Count [?]
All: | 16 |
Single: | 10 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 258.124 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 3.39 |
LogP (Chemaxon): | 4.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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