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Chemical ID: 6935476

CCN(c1ccccc1)C(=O)c2cc(c(c(c2)[N+](=O)[O-])Cl)[N+](=O)[O-]

Chemical ID:

6935476

Name [?]:

4-chloro-N-ethyl-3,5-dinitro-N-phenyl-benzamide

SMILES [?]:

CCN(c1ccccc1)C(=O)c2cc(c(c(c2)[N+](=O)[O-])Cl)[N+](=O)[O-]

InChi [?]:

InChI=1/C15H12ClN3O5/c1-2-17(11-6-4-3-5-7-11)15(20)10-8-12(18(21)22)14(16)13(9-10)19(23)24/h3-9H,2H2,1H3

InChi Info:

AuxInfo=1/0/N:1,2,7,6,8,5,9,13,17,12,4,14,16,15,10,21,3,22,18,11,23,24,19,20/E:(4,5)(6,7)(8,9)(12,13)(18,19)(21,22,23,24)/CRV:18.5,19.5/rA:24nCCNCCCCCCCOCCCCCCN+OO-ClN+OO-/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s3;d10;s10;s12;d13;s14;d15;d12s16;s16;d18;s18;s15;s14;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₂ClN₃O₅
All Atoms:	36
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	-3.10744
Area:	500.59
Solvation:	-15.6222
Coulombic:	-31.253

Bond Count [?]

All:	25
Single:	16
Double:	9
Rotors:	6
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	349.726
H-Bond Donors:	0
H-Bond Acceptors:	8
XLogP:	3.72
LogP (Chemaxon):	3.64

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