ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 6501795

Chemical ID:

6501795

Name [?]:

2-(4-nitrophenyl)indolizine

SMILES [?]:

c1ccn2cc(cc2c1)c3ccc(cc3)[N+](=O)[O-]

InChi [?]:

InChI=1/C14H10N2O2/c17-16(18)13-6-4-11(5-7-13)12-9-14-3-1-2-8-15(14)10-12/h1-10H

InChi Info:

AuxInfo=1/0/N:1,2,9,11,15,12,14,3,7,5,10,6,13,8,4,16,17,18/E:(4,5)(6,7)(17,18)/CRV:16.5/rA:18nCCCNCCCCCCCCCCCN+OO-/rB:s1;d2;s3;s4;d5;s6;s4d7;d1s8;s6;s10;d11;s12;d13;d10s14;s13;d16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₀N₂O₂
All Atoms:	18
Heavy Atoms:	18
Chiral Atoms:	0

ZAP Information [?]

Total:	3.30892
Area:	425.594
Solvation:	-7.33092
Coulombic:	-17.3851

Bond Count [?]

All:	20
Single:	12
Double:	8
Rotors:	2
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	238.241
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	3.16
LogP (Chemaxon):	3.86

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