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Chemical ID: 7047759

CCCOc1ccc2cc(c(=O)oc2c1)C(=O)Nc3cc(c(cc3[N+](=O)[O-])Cl)Cl

Chemical ID:

7047759

Name [?]:

N-(4,5-dichloro-2-nitro-phenyl)-2-oxo-7-propoxy-chromene-3-carboxamide

SMILES [?]:

CCCOc1ccc2cc(c(=O)oc2c1)C(=O)Nc3cc(c(cc3[N+](=O)[O-])Cl)Cl

InChi [?]:

InChI=1/C19H14Cl2N2O6/c1-2-5-28-11-4-3-10-6-12(19(25)29-17(10)7-11)18(24)22-15-8-13(20)14(21)9-16(15)23(26)27/h3-4,6-9H,2,5H2,1H3,(H,22,24)

InChi Info:

AuxInfo=1/1/N:1,2,7,6,3,9,15,20,23,8,5,10,21,22,19,24,14,16,11,29,28,18,25,17,12,26,27,4,13/E:(26,27)/CRV:23.5/rA:29nCCCOCCCCCCCOOCCCONCCCCCCN+OO-ClCl/rB:s1;s2;s3;s4;s5;d6;s7;s8;d9;s10;d11;s11;d8s13;d5s14;s10;d16;s16;s18;s19;d20;s21;d22;d19s23;s24;d25;s25;s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₁₄Cl₂N₂O₆
All Atoms:	43
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	6.88883
Area:	634.739
Solvation:	-8.97964
Coulombic:	-58.3933

Bond Count [?]

All:	31
Single:	21
Double:	10
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	437.23
H-Bond Donors:	1
H-Bond Acceptors:	7
XLogP:	5.02
LogP (Chemaxon):	4.72

Name Annotations

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

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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

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