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Chemical ID: 4222539

c1ccc2cc(ccc2c1)N3C(=O)c4cccc5c4c(ccc5[N+](=O)[O-])C3=O

Chemical ID:

4222539

Name [?]:

None

SMILES [?]:

c1ccc2cc(ccc2c1)N3C(=O)c4cccc5c4c(ccc5[N+](=O)[O-])C3=O

InChi [?]:

InChI=1/C22H12N2O4/c25-21-17-7-3-6-16-19(24(27)28)11-10-18(20(16)17)22(26)23(21)15-9-8-13-4-1-2-5-14(13)12-15/h1-12H

InChi Info:

AuxInfo=1/0/N:1,2,16,10,3,17,15,8,7,21,22,5,9,4,6,18,14,20,23,19,12,27,11,24,13,28,25,26/E:(27,28)/CRV:24.5/rA:28nCCCCCCCCCCNCOCCCCCCCCCCN+OO-CO/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;d1s9;s6;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;d20;s21;s18d22;s23;d24;s24;s11s20;d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₁₂N₂O₄
All Atoms:	28
Heavy Atoms:	28
Chiral Atoms:	0

ZAP Information [?]

Total:	5.56054
Area:	538.762
Solvation:	-7.90851
Coulombic:	-39.4909

Bond Count [?]

All:	32
Single:	19
Double:	13
Rotors:	2
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	368.342
H-Bond Donors:	0
H-Bond Acceptors:	6
XLogP:	5.0
LogP (Chemaxon):	4.27

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