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Chemical ID: 6374894

CC(CNC(=O)c1cc(ccc1[N+](=O)[O-])Cl)NC(=O)c2cc(ccc2[N+](=O)[O-])Cl

Chemical ID:

6374894

Name [?]:

5-chloro-N-[2-(5-chloro-2-nitro-benzoyl)aminopropyl]-2-nitro-benzamide

SMILES [?]:

CC(CNC(=O)c1cc(ccc1[N+](=O)[O-])Cl)NC(=O)c2cc(ccc2[N+](=O)[O-])Cl

InChi [?]:

InChI=1/C17H14Cl2N4O6/c1-9(21-17(25)13-7-11(19)3-5-15(13)23(28)29)8-20-16(24)12-6-10(18)2-4-14(12)22(26)27/h2-7,9H,8H2,1H3,(H,20,24)(H,21,25)

InChi Info:

AuxInfo=1/1/N:1,10,23,11,24,8,21,3,2,9,22,7,20,12,25,5,18,16,29,4,17,13,26,6,19,14,15,27,28/E:(26,27)(28,29)/CRV:22.5,23.5/rA:29cCCCNCOCCCCCCN+OO-ClNCOCCCCCCN+OO-Cl/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;d10;d7s11;s12;d13;s13;s9;s2;s17;d18;s18;s20;d21;s22;d23;d20s24;s25;d26;s26;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₄Cl₂N₄O₆
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	1

ZAP Information [?]

Total:	-0.086802
Area:	645.32
Solvation:	-16.2198
Coulombic:	-59.994

Bond Count [?]

All:	30
Single:	20
Double:	10
Rotors:	9
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	441.222
H-Bond Donors:	2
H-Bond Acceptors:	10
XLogP:	3.89
LogP (Chemaxon):	3.07

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