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Chemical ID: 7344150

CCc1ccc(cc1)C2CN3C(=O)N(C(=O)C3(c4c2c5ccccc5[nH]4)C)c6ccc(cc6)[N+](=O)[O-]

Chemical ID:

7344150

Name [?]:

None

SMILES [?]:

CCc1ccc(cc1)C2CN3C(=O)N(C(=O)C3(c4c2c5ccccc5[nH]4)C)c6ccc(cc6)[N+](=O)[O-]

InChi [?]:

InChI=1/C28H24N4O4/c1-3-17-8-10-18(11-9-17)22-16-30-27(34)31(19-12-14-20(15-13-19)32(35)36)26(33)28(30,2)25-24(22)21-6-4-5-7-23(21)29-25/h4-15,22,29H,3,16H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,27,2,22,23,21,24,4,8,5,7,29,33,30,32,10,3,6,28,31,20,9,25,19,18,15,12,17,26,11,14,34,16,13,35,36/E:(8,9)(10,11)(12,13)(14,15)(35,36)/CRV:32.5/rA:36cCCCCCCCCCCNCONCOCCCCCCCCCNCCCCCCCN+OO-/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;d12;s12;s14;d15;s11s15;s17;s9d18;s19;s20;d21;s22;d23;d20s24;s18s25;s17;s14;s28;d29;s30;d31;d28s32;s31;d34;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₈H₂₄N₄O₄
All Atoms:	60
Heavy Atoms:	36
Chiral Atoms:	2

ZAP Information [?]

Total:	8.86608
Area:	670.16
Solvation:	-7.88791
Coulombic:	-61.6091

Bond Count [?]

All:	41
Single:	28
Double:	13
Rotors:	4
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	480.515
H-Bond Donors:	0
H-Bond Acceptors:	7
XLogP:	4.71
LogP (Chemaxon):	5.58

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