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Chemical ID: 5572029
Chemical ID:
5572029
Name [?]:
2-chloro-N-(5-methylthiazol-2-yl)-4-nitro-benzamide
SMILES [?]:
Cc1cnc(s1)NC(=O)c2ccc(cc2Cl)[N+](=O)[O-]
InChi [?]:
InChI=1/C11H8ClN3O3S/c1-6-5-13-11(19-6)14-10(16)8-3-2-7(15(17)18)4-9(8)12/h2-5H,1H3,(H,13,14,16)
InChi Info:
AuxInfo=1/1/N:1,12,11,14,3,2,13,10,15,8,5,16,4,7,17,9,18,19,6/E:(17,18)/CRV:15.5/rA:19nCCCNCSNCOCCCCCCClN+OO-/rB:s1;d2;s3;d4;s2s5;s5;s7;d8;s8;s10;d11;s12;d13;d10s14;s15;s13;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H8ClN3O3S |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 2.86827 |
Area: | 473.052 |
Solvation: | -8.95802 |
Coulombic: | -35.1795 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 297.718 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 1.81 |
LogP (Chemaxon): | 2.83 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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