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Chemical ID: 6814746

c1cc(cc(c1)Cl)NC(=O)c2ccc(c(c2)NC(=O)c3cc(cc(c3)[N+](=O)[O-])[N+](=O)[O-])Cl

Chemical ID:

6814746

Name [?]:

4-chloro-N-(3-chlorophenyl)-3-(3,5-dinitrobenzoyl)amino-benzamide

SMILES [?]:

c1cc(cc(c1)Cl)NC(=O)c2ccc(c(c2)NC(=O)c3cc(cc(c3)[N+](=O)[O-])[N+](=O)[O-])Cl

InChi [?]:

InChI=1/C20H12Cl2N4O6/c21-13-2-1-3-14(9-13)23-19(27)11-4-5-17(22)18(8-11)24-20(28)12-6-15(25(29)30)10-16(7-12)26(31)32/h1-10H,(H,23,27)(H,24,28)

InChi Info:

AuxInfo=1/1/N:1,6,2,12,13,21,25,16,4,23,11,20,5,3,22,24,14,15,9,18,7,32,8,17,29,26,10,19,30,31,27,28/E:(6,7)(15,16)(25,26)(29,30,31,32)/CRV:25.5,26.5/rA:32nCCCCCCClNCOCCCCCCNCOCCCCCCN+OO-N+OO-Cl/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s9;s11;d12;s13;d14;d11s15;s15;s17;d18;s18;s20;d21;s22;d23;d20s24;s24;d26;s26;s22;d29;s29;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₁₂Cl₂N₄O₆
All Atoms:	44
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	1.45171
Area:	695.219
Solvation:	-15.9288
Coulombic:	-59.2763

Bond Count [?]

All:	34
Single:	21
Double:	13
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	475.238
H-Bond Donors:	2
H-Bond Acceptors:	10
XLogP:	4.75
LogP (Chemaxon):	4.45

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

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Chemical Mix	Source	External ID	Descriptor	Value