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Chemical ID: 4295920
Chemical ID:
4295920
Name [?]:
N-(2,6-dichlorophenyl)-4-methyl-3-nitro-benzamide
SMILES [?]:
Cc1ccc(cc1[N+](=O)[O-])C(=O)Nc2c(cccc2Cl)Cl
InChi [?]:
InChI=1/C14H10Cl2N2O3/c1-8-5-6-9(7-12(8)18(20)21)14(19)17-13-10(15)3-2-4-11(13)16/h2-7H,1H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,17,16,18,3,4,6,2,5,15,19,7,14,11,21,20,13,8,12,9,10/E:(3,4)(10,11)(15,16)(20,21)/CRV:18.5/rA:21nCCCCCCCN+OO-CONCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s5;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s15;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H10Cl2N2O3 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.78662 |
Area: | 490.45 |
Solvation: | -7.47462 |
Coulombic: | -34.2237 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 325.146 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.23 |
LogP (Chemaxon): | 3.26 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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