Chemical ID: 5671680

Cc1n[nH]c(=NC(=O)Nc2ccc(cc2)Cl)s1
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

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Descriptor Annotations

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