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Chemical ID: 6935513

Cc1ccccc1NC(=O)c2cc(c(c(c2)[N+](=O)[O-])Cl)[N+](=O)[O-]

Chemical ID:

6935513

Name [?]:

4-chloro-3,5-dinitro-N-(o-tolyl)benzamide

SMILES [?]:

Cc1ccccc1NC(=O)c2cc(c(c(c2)[N+](=O)[O-])Cl)[N+](=O)[O-]

InChi [?]:

InChI=1/C14H10ClN3O5/c1-8-4-2-3-5-10(8)16-14(19)9-6-11(17(20)21)13(15)12(7-9)18(22)23/h2-7H,1H3,(H,16,19)

InChi Info:

AuxInfo=1/1/N:1,4,5,3,6,12,16,2,11,7,13,15,14,9,20,8,21,17,10,22,23,18,19/E:(6,7)(11,12)(17,18)(20,21,22,23)/CRV:17.5,18.5/rA:23nCCCCCCCNCOCCCCCCN+OO-ClN+OO-/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;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:	-3.43368
Area:	504.294
Solvation:	-16.041
Coulombic:	-34.8722

Bond Count [?]

All:	24
Single:	15
Double:	9
Rotors:	5
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	335.699
H-Bond Donors:	1
H-Bond Acceptors:	8
XLogP:	3.38
LogP (Chemaxon):	3.34

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