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Chemical ID: 5182839
Chemical ID:
5182839
Name [?]:
6-(3,4-dichlorophenyl)-5-methyl-8-nitro-phenanthridine
SMILES [?]:
C[n+]1c2ccccc2c3ccc(cc3c1c4ccc(c(c4)Cl)Cl)[N+](=O)[O-]
InChi [?]:
InChI=1/C20H13Cl2N2O2/c1-23-19-5-3-2-4-15(19)14-8-7-13(24(25)26)11-16(14)20(23)12-6-9-17(21)18(22)10-12/h2-11H,1H3/q+1
InChi Info:
AuxInfo=1/0/N:1,6,5,7,4,17,11,10,18,21,13,16,12,9,8,14,19,20,3,15,23,22,2,24,25,26/E:(25,26)/CRV:23+1,24.5/rA:26nCN+CCCCCCCCCCCCCCCCCCCClClN+OO-/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s11;d12;d9s13;d2s14;s15;s16;d17;s18;d19;d16s20;s20;s19;s12;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H13Cl2N2O2+ |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -22.1544 |
Area: | 545.462 |
Solvation: | -35.791 |
Coulombic: | 9.51587 |
Bond Count [?]
All: | 29 |
Single: | 18 |
Double: | 11 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 384.235 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 6.4 |
LogP (Chemaxon): | 1.96 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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