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Chemical ID: 7262927

Chemical ID:

7262927

Name [?]:

N-(4-methylcyclohexyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

SMILES [?]:

CC1CCC(CC1)NC(=O)C2=NNC(=O)CC2

InChi [?]:

InChI=1/C12H19N3O2/c1-8-2-4-9(5-3-8)13-12(17)10-6-7-11(16)15-14-10/h8-9H,2-7H2,1H3,(H,13,17)(H,15,16)

InChi Info:

AuxInfo=1/1/N:1,3,7,4,6,17,16,2,5,11,14,9,8,12,13,15,10/E:(2,3)(4,5)/rA:17nCCCCCCCNCOCNNCOCC/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;d9;s9;d11;s12;s13;d14;s14;s11s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₂H₁₉N₃O₂
All Atoms:	36
Heavy Atoms:	17
Chiral Atoms:	0

ZAP Information [?]

Total:	8.27329
Area:	426.883
Solvation:	-2.39877
Coulombic:	-40.9249

Bond Count [?]

All:	18
Single:	15
Double:	3
Rotors:	3
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	237.298
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	1.67
LogP (Chemaxon):	1.35

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