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Chemical ID: 6638925

c1ccc2c(c1)C3CC(=NN3C(O2)c4ccc(cc4)[N+](=O)[O-])c5ccco5

Chemical ID:

6638925

Name [?]:

None

SMILES [?]:

c1ccc2c(c1)C3CC(=NN3C(O2)c4ccc(cc4)[N+](=O)[O-])c5ccco5

InChi [?]:

InChI=1/C20H15N3O4/c24-23(25)14-9-7-13(8-10-14)20-22-17(15-4-1-2-5-18(15)27-20)12-16(21-22)19-6-3-11-26-19/h1-11,17,20H,12H2

InChi Info:

AuxInfo=1/0/N:1,2,25,6,3,24,15,19,16,18,26,8,14,17,5,9,7,4,23,12,10,11,20,21,22,27,13/E:(7,8)(9,10)(24,25)/CRV:23.5/rA:27cCCCCCCCCCNNCOCCCCCCN+OO-CCCCO/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s7s10;s11;s4s12;s12;s14;d15;s16;d17;d14s18;s17;d20;s20;s9;d23;s24;d25;s23s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₁₅N₃O₄
All Atoms:	27
Heavy Atoms:	27
Chiral Atoms:	3

ZAP Information [?]

Total:	5.57943
Area:	556.954
Solvation:	-8.34443
Coulombic:	-35.0722

Bond Count [?]

All:	31
Single:	21
Double:	10
Rotors:	3
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	361.351
H-Bond Donors:	0
H-Bond Acceptors:	6
XLogP:	3.88
LogP (Chemaxon):	3.96

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

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

Chemical Mix	Source	External ID	Descriptor	Value