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Chemical ID: 4171408
Chemical ID:
4171408
Name [?]:
4-chloro-N-(2-chlorophenyl)-3-nitro-benzamide
SMILES [?]:
c1ccc(c(c1)NC(=O)c2ccc(c(c2)[N+](=O)[O-])Cl)Cl
InChi [?]:
InChI=1/C13H8Cl2N2O3/c14-9-3-1-2-4-11(9)16-13(18)8-5-6-10(15)12(7-8)17(19)20/h1-7H,(H,16,18)
InChi Info:
AuxInfo=1/1/N:2,1,3,6,11,12,15,10,4,13,5,14,8,20,19,7,16,9,17,18/E:(19,20)/CRV:17.5/rA:20nCCCCCCNCOCCCCCCN+OO-ClCl/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;d11;s12;d13;d10s14;s14;d16;s16;s13;s4;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H8Cl2N2O3 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.29588 |
Area: | 478.903 |
Solvation: | -7.67669 |
Coulombic: | -32.9897 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 311.12 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.01 |
LogP (Chemaxon): | 3.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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