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Chemical ID: 5192586

C[n+]1c2ccccc2c3ccc(cc3c1c4cc(cc(c4)Cl)Cl)[N+](=O)[O-]

Chemical ID:

5192586

Name [?]:

6-(3,5-dichlorophenyl)-5-methyl-8-nitro-phenanthridine

SMILES [?]:

C[n+]1c2ccccc2c3ccc(cc3c1c4cc(cc(c4)Cl)Cl)[N+](=O)[O-]

InChi [?]:

InChI=1/C20H13Cl2N2O2/c1-23-19-5-3-2-4-17(19)16-7-6-15(24(25)26)11-18(16)20(23)12-8-13(21)10-14(22)9-12/h2-11H,1H3/q+1

InChi Info:

AuxInfo=1/0/N:1,6,5,7,4,11,10,17,21,19,13,16,18,20,12,9,8,14,3,15,23,22,2,24,25,26/E:(8,9)(13,14)(21,22)(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;s18;s12;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₁₃Cl₂N₂O₂₊
All Atoms:	26
Heavy Atoms:	26
Chiral Atoms:	0

ZAP Information [?]

Total:	-22.1835
Area:	546.956
Solvation:	-35.8574
Coulombic:	10.0044

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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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value