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Chemical ID: 4692799

c1cc(cc(c1)[N+](=O)[O-])C=NNC(=O)c2ccc(cc2)OCc3ccc(c(c3)Cl)Cl

Chemical ID:

4692799

Name [?]:

4-[(3,4-dichlorophenyl)methoxy]-N-[(3-nitrophenyl)methyleneamino]benzamide

SMILES [?]:

c1cc(cc(c1)[N+](=O)[O-])C=NNC(=O)c2ccc(cc2)OCc3ccc(c(c3)Cl)Cl

InChi [?]:

InChI=1/C21H15Cl2N3O4/c22-19-9-4-15(11-20(19)23)13-30-18-7-5-16(6-8-18)21(27)25-24-12-14-2-1-3-17(10-14)26(28)29/h1-12H,13H2,(H,25,27)

InChi Info:

AuxInfo=1/1/N:1,2,6,24,16,20,17,19,25,4,28,10,22,3,23,15,5,18,26,27,13,30,29,11,12,7,14,8,9,21/E:(5,6)(7,8)(28,29)/CRV:26.5/rA:30nCCCCCCN+OO-CNNCOCCCCCCOCCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s3;w10;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s18;s21;s22;s23;d24;s25;d26;d23s27;s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₁₅Cl₂N₃O₄
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	6.52151
Area:	677.528
Solvation:	-10.4167
Coulombic:	-40.1413

Bond Count [?]

All:	32
Single:	20
Double:	12
Rotors:	8
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	444.267
H-Bond Donors:	1
H-Bond Acceptors:	7
XLogP:	6.63
LogP (Chemaxon):	5.76

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

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