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Chemical ID: 4294869

CC(c1ccccc1)NC(=O)c2cc(c(c(c2)[N+](=O)[O-])Cl)[N+](=O)[O-]

Chemical ID:

4294869

Name [?]:

4-chloro-3,5-dinitro-N-(1-phenylethyl)benzamide

SMILES [?]:

CC(c1ccccc1)NC(=O)c2cc(c(c(c2)[N+](=O)[O-])Cl)[N+](=O)[O-]

InChi [?]:

InChI=1/C15H12ClN3O5/c1-9(10-5-3-2-4-6-10)17-15(20)11-7-12(18(21)22)14(16)13(8-11)19(23)24/h2-9H,1H3,(H,17,20)

InChi Info:

AuxInfo=1/1/N:1,6,5,7,4,8,13,17,2,3,12,14,16,15,10,21,9,22,18,11,23,24,19,20/E:(3,4)(5,6)(7,8)(12,13)(18,19)(21,22,23,24)/CRV:18.5,19.5/rA:24cCCCCCCCCNCOCCCCCCN+OO-ClN+OO-/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;s9;d10;s10;s12;d13;s14;d15;d12s16;s16;d18;s18;s15;s14;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₂ClN₃O₅
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	1

ZAP Information [?]

Total:	-2.60168
Area:	532.246
Solvation:	-15.9078
Coulombic:	-36.5351

Bond Count [?]

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

Chemical Properties

Molecular Weight:	349.726
H-Bond Donors:	1
H-Bond Acceptors:	8
XLogP:	3.82
LogP (Chemaxon):	3.56

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