ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7207373

Chemical ID:

7207373

Name [?]:

N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-furan-2-carboxamide

SMILES [?]:

Cc1c(cn(n1)C)CN(C)C(=O)c2ccco2

InChi [?]:

InChI=1/C12H15N3O2/c1-9-10(8-15(3)13-9)7-14(2)12(16)11-5-4-6-17-11/h4-6,8H,7H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,10,7,15,14,16,8,4,2,3,13,11,6,9,5,12,17/rA:17nCCCCNNCCNCCOCCCCO/rB:s1;s2;d3;s4;d2s5;s5;s3;s8;s9;s9;d11;s11;d13;s14;d15;s13s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₂H₁₅N₃O₂
All Atoms:	32
Heavy Atoms:	17
Chiral Atoms:	0

ZAP Information [?]

Total:	7.12675
Area:	406.612
Solvation:	-3.03855
Coulombic:	-28.8825

Bond Count [?]

All:	18
Single:	13
Double:	5
Rotors:	4
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	233.267
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	0.62
LogP (Chemaxon):	0.36

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