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Chemical ID: 5257943

Chemical ID:

5257943

Name [?]:

6-(2-imino-5-oxo-imidazolidin-4-ylidene)-3,10-diazabicyclo[5.3.0]deca-8,11-dien-2-one

SMILES [?]:

c1c[nH]c2c1C(=C3C(=O)NC(=N)N3)CCNC2=O

InChi [?]:

InChI=1/C11H11N5O2/c12-11-15-8(10(18)16-11)6-2-4-14-9(17)7-5(6)1-3-13-7/h1,3,13H,2,4H2,(H,14,17)(H3,12,15,16,18)

InChi Info:

AuxInfo=1/1/N:1,14,2,15,5,6,4,7,17,8,11,12,3,16,13,10,18,9/rA:18nCCNCCCCCONCNNCCNCO/rB:d1;s2;s3;s1d4;s5;w6;s7;d8;s8;s10;w11;s7s11;s6;s14;s15;s4s16;d17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₁H₁₁N₅O₂
All Atoms:	18
Heavy Atoms:	18
Chiral Atoms:	0

ZAP Information [?]

Total:	6.3998
Area:	395.739
Solvation:	-3.49366
Coulombic:	-76.369

Bond Count [?]

All:	20
Single:	14
Double:	6
Rotors:	0
Chiral:	2
Rigid Segments:	1

Chemical Properties

Molecular Weight:	245.238
H-Bond Donors:	4
H-Bond Acceptors:	6
XLogP:	0.02
LogP (Chemaxon):	-1.32

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