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Chemical ID: 6427468

c1cc(cc(c1)[N+](=O)[O-])NCCNc2cccc(c2)[N+](=O)[O-]

Chemical ID:

6427468

Name [?]:

N,N'-bis(3-nitrophenyl)ethane-1,2-diamine

SMILES [?]:

c1cc(cc(c1)[N+](=O)[O-])NCCNc2cccc(c2)[N+](=O)[O-]

InChi [?]:

InChI=1/C14H14N4O4/c19-17(20)13-5-1-3-11(9-13)15-7-8-16-12-4-2-6-14(10-12)18(21)22/h1-6,9-10,15-16H,7-8H2

InChi Info:

AuxInfo=1/0/N:1,16,2,15,6,17,11,12,4,19,3,14,5,18,10,13,7,20,8,9,21,22/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20,21,22)/CRV:17.5,18.5/rA:22nCCCCCCN+OO-NCCNCCCCCCN+OO-/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s3;s10;s11;s12;s13;s14;d15;s16;d17;d14s18;s18;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₄N₄O₄
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	0.844958
Area:	528.404
Solvation:	-12.3651
Coulombic:	-47.4808

Bond Count [?]

All:	23
Single:	15
Double:	8
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	302.286
H-Bond Donors:	2
H-Bond Acceptors:	8
XLogP:	2.66
LogP (Chemaxon):	2.97

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