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Chemical ID: 6342818
Chemical ID:
6342818
Name [?]:
2-chloro-N-(4,5-dimethylthiazol-2-yl)-5-nitro-benzamide
SMILES [?]:
Cc1c(sc(n1)NC(=O)c2cc(ccc2Cl)[N+](=O)[O-])C
InChi [?]:
InChI=1/C12H10ClN3O3S/c1-6-7(2)20-12(14-6)15-11(17)9-5-8(16(18)19)3-4-10(9)13/h3-5H,1-2H3,(H,14,15,17)
InChi Info:
AuxInfo=1/1/N:1,20,13,14,11,2,3,12,10,15,8,5,16,6,7,17,9,18,19,4/E:(18,19)/CRV:16.5/rA:20nCCCSCNNCOCCCCCCClN+OO-C/rB:s1;d2;s3;s4;s2d5;s5;s7;d8;s8;s10;d11;s12;d13;d10s14;s15;s12;d17;s17;s3;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H10ClN3O3S |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 3.27809 |
Area: | 487.567 |
Solvation: | -8.91107 |
Coulombic: | -34.7801 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 311.745 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.36 |
LogP (Chemaxon): | 3.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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