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Chemical ID: 4570143

c1ccc2c(c1)c3c([nH]2)C(N4C(C3)C(=O)N(CC4=O)Cc5ccc(cc5)F)c6cccc(c6)[N+](=O)[O-]

Chemical ID:

4570143

Name [?]:

None

SMILES [?]:

c1ccc2c(c1)c3c([nH]2)C(N4C(C3)C(=O)N(CC4=O)Cc5ccc(cc5)F)c6cccc(c6)[N+](=O)[O-]

InChi [?]:

InChI=1/C27H21FN4O4/c28-18-10-8-16(9-11-18)14-30-15-24(33)31-23(27(30)34)13-21-20-6-1-2-7-22(20)29-25(21)26(31)17-4-3-5-19(12-17)32(35)36/h1-12,23,26,29H,13-15H2

InChi Info:

AuxInfo=1/0/N:1,2,30,29,31,6,3,22,26,23,25,33,13,20,17,21,28,24,32,5,7,4,12,18,8,10,14,27,9,16,11,34,19,15,35,36/E:(8,9)(10,11)(35,36)/CRV:32.5/rA:36cCCCCCCCCNCNCCCONCCOCCCCCCCFCCCCCCN+OO-/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s8;s10;s11;s7s12;s12;d14;s14;s16;s11s17;d18;s16;s20;s21;d22;s23;d24;d21s25;s24;s10;s28;d29;s30;d31;d28s32;s32;d34;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₇H₂₁FN₄O₄
All Atoms:	36
Heavy Atoms:	36
Chiral Atoms:	2

ZAP Information [?]

Total:	7.43574
Area:	663.889
Solvation:	-9.1615
Coulombic:	-62.8532

Bond Count [?]

All:	41
Single:	28
Double:	13
Rotors:	4
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	484.479
H-Bond Donors:	0
H-Bond Acceptors:	7
XLogP:	3.58
LogP (Chemaxon):	4.18

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