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Chemical ID: 4492004

c1ccc(cc1)CN2C(c3c(=O)c4cc(ccc4oc3C2=O)Cl)c5cccc(c5)[N+](=O)[O-]

Chemical ID:

4492004

Name [?]:

None

SMILES [?]:

c1ccc(cc1)CN2C(c3c(=O)c4cc(ccc4oc3C2=O)Cl)c5cccc(c5)[N+](=O)[O-]

InChi [?]:

InChI=1/C24H15ClN2O5/c25-16-9-10-19-18(12-16)22(28)20-21(15-7-4-8-17(11-15)27(30)31)26(24(29)23(20)32-19)13-14-5-2-1-3-6-14/h1-12,21H,13H2

InChi Info:

AuxInfo=1/0/N:1,2,6,26,3,5,25,27,16,17,29,14,7,4,24,15,28,13,18,10,9,11,20,21,23,8,30,12,22,31,32,19/E:(2,3)(5,6)(30,31)/CRV:27.5/rA:32cCCCCCCCNCCCOCCCCCCOCCOClCCCCCCN+OO-/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s18;d10s19;s8s20;d21;s15;s9;s24;d25;s26;d27;d24s28;s28;d30;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₁₅ClN₂O₅
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	1

ZAP Information [?]

Total:	6.33525
Area:	607.603
Solvation:	-8.85483
Coulombic:	-48.1443

Bond Count [?]

All:	36
Single:	23
Double:	13
Rotors:	4
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	446.839
H-Bond Donors:	0
H-Bond Acceptors:	6
XLogP:	4.52
LogP (Chemaxon):	4.9

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