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Chemical ID: 4196553
Chemical ID:
4196553
Name [?]:
3,4-dichlorobenzothiophene-2-carbohydrazide
SMILES [?]:
c1cc2c(c(c1)Cl)c(c(s2)C(=O)NN)Cl
InChi [?]:
InChI=1/C9H6Cl2N2OS/c10-4-2-1-3-5-6(4)7(11)8(15-5)9(14)13-12/h1-3H,12H2,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,6,2,5,3,4,8,9,11,7,15,14,13,12,10/rA:15nCCCCCCClCCSCONNCl/rB:s1;d2;s3;d4;d1s5;s5;s4;d8;s3s9;s9;d11;s11;s13;s8;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H6Cl2N2OS |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.42176 |
Area: | 392.898 |
Solvation: | -2.40068 |
Coulombic: | -29.2208 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 261.128 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 3 |
XLogP: | 1.95 |
LogP (Chemaxon): | 2.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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