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Chemical ID: 6109640

Chemical ID:

6109640

Name [?]:

4-methyl-1-[(5-nitro-2-furyl)methyleneamino]imidazolidin-2-one

SMILES [?]:

CC1CN(C(=O)N1)N=Cc2ccc(o2)[N+](=O)[O-]

InChi [?]:

InChI=1/C9H10N4O4/c1-6-5-12(9(14)11-6)10-4-7-2-3-8(17-7)13(15)16/h2-4,6H,5H2,1H3,(H,11,14)

InChi Info:

AuxInfo=1/1/N:1,11,12,9,3,2,10,13,5,8,7,4,15,6,16,17,14/E:(15,16)/CRV:13.5/rA:17cCCCNCONNCCCCCON+OO-/rB:s1;s2;s3;s4;d5;s2s5;s4;w8;s9;d10;s11;d12;s10s13;s13;d15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₉H₁₀N₄O₄
All Atoms:	17
Heavy Atoms:	17
Chiral Atoms:	1

ZAP Information [?]

Total:	0.555685
Area:	371.479
Solvation:	-8.7313
Coulombic:	-48.6803

Bond Count [?]

All:	18
Single:	13
Double:	5
Rotors:	3
Chiral:	1
Rigid Segments:	4

Chemical Properties

Molecular Weight:	238.2
H-Bond Donors:	1
H-Bond Acceptors:	7
XLogP:	0.7
LogP (Chemaxon):	0.81

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value