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Chemical ID: 5671680
Chemical ID:
5671680
Name [?]:
3-(4-chlorophenyl)-1-(5-methyl-3H-1,3,4-thiadiazol-2-ylidene)-urea
SMILES [?]:
Cc1n[nH]c(=NC(=O)Nc2ccc(cc2)Cl)s1
InChi [?]:
InChI=1/C10H9ClN4OS/c1-6-14-15-10(17-6)13-9(16)12-8-4-2-7(11)3-5-8/h2-5H,1H3,(H2,12,13,15,16)
InChi Info:
AuxInfo=1/1/N:1,12,14,11,15,2,13,10,7,5,16,9,6,3,4,8,17/E:(2,3)(4,5)/rA:17nCCNNCNCONCCCCCCClS/rB:s1;d2;s3;s4;w5;s6;d7;s7;s9;s10;d11;s12;d13;d10s14;s13;s2s5;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H9ClN4OS |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.66097 |
Area: | 447.428 |
Solvation: | -1.52473 |
Coulombic: | -41.1218 |
Bond Count [?]
All: | 18 |
Single: | 12 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 268.724 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.13 |
LogP (Chemaxon): | 3.12 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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