ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7208487

Chemical ID:

7208487

Name [?]:

N-methyl-N-[(1-methylpyrazol-4-yl)methyl]furan-2-carboxamide

SMILES [?]:

Cn1cc(cn1)CN(C)C(=O)c2ccco2

InChi [?]:

InChI=1/C11H13N3O2/c1-13(7-9-6-12-14(2)8-9)11(15)10-4-3-5-16-10/h3-6,8H,7H2,1-2H3

InChi Info:

AuxInfo=1/0/N:9,1,14,13,15,5,7,3,4,12,10,6,8,2,11,16/rA:16nCNCCCNCNCCOCCCCO/rB:s1;s2;d3;s4;s2d5;s4;s7;s8;s8;d10;s10;d12;s13;d14;s12s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₁H₁₃N₃O₂
All Atoms:	29
Heavy Atoms:	16
Chiral Atoms:	0

ZAP Information [?]

Total:	6.59285
Area:	387.675
Solvation:	-3.09902
Coulombic:	-28.9142

Bond Count [?]

All:	17
Single:	12
Double:	5
Rotors:	4
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	219.24
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	0.47
LogP (Chemaxon):	0.19

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