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Chemical ID: 6934881
Chemical ID:
6934881
Name [?]:
4-chloro-N-methyl-3,5-dinitro-N-phenyl-benzamide
SMILES [?]:
CN(c1ccccc1)C(=O)c2cc(c(c(c2)[N+](=O)[O-])Cl)[N+](=O)[O-]
InChi [?]:
InChI=1/C14H10ClN3O5/c1-16(10-5-3-2-4-6-10)14(19)9-7-11(17(20)21)13(15)12(8-9)18(22)23/h2-8H,1H3
InChi Info:
AuxInfo=1/0/N:1,6,5,7,4,8,12,16,11,3,13,15,14,9,20,2,21,17,10,22,23,18,19/E:(3,4)(5,6)(7,8)(11,12)(17,18)(20,21,22,23)/CRV:17.5,18.5/rA:23nCNCCCCCCCOCCCCCCN+OO-ClN+OO-/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;d9;s9;s11;d12;s13;d14;d11s15;s15;d17;s17;s14;s13;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H10ClN3O5 |
All Atoms: | 33 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -3.45042 |
Area: | 497.473 |
Solvation: | -15.8872 |
Coulombic: | -30.9617 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 335.699 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 8 |
XLogP: | 3.3 |
LogP (Chemaxon): | 3.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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