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Chemical ID: 7165306

Chemical ID:

7165306

Name [?]:

N-[3-(difluoromethyl)-5-methylsulfanyl-1,2,4-triazol-4-yl]-1-(1-ethyl-5-methyl-pyrazol-4-yl)-methanimine

SMILES [?]:

CCn1c(c(cn1)C=Nn2c(nnc2SC)C(F)F)C

InChi [?]:

InChI=1/C11H14F2N6S/c1-4-18-7(2)8(5-14-18)6-15-19-10(9(12)13)16-17-11(19)20-3/h5-6,9H,4H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,20,16,2,6,8,4,5,17,11,14,18,19,7,9,12,13,3,10,15/E:(12,13)/rA:20nCCNCCCNCNNCNNCSCCFFC/rB:s1;s2;s3;d4;s5;s3d6;s5;w8;s9;s10;d11;s12;s10d13;s14;s15;s11;s17;s17;s4;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₁H₁₄F₂N₆S
All Atoms:	34
Heavy Atoms:	20
Chiral Atoms:	0

ZAP Information [?]

Total:	7.2902
Area:	477.184
Solvation:	-4.63941
Coulombic:	-23.3304

Bond Count [?]

All:	21
Single:	16
Double:	5
Rotors:	5
Chiral:	1
Rigid Segments:	6

Chemical Properties

Molecular Weight:	300.332
H-Bond Donors:	0
H-Bond Acceptors:	1
XLogP:	3.49
LogP (Chemaxon):	1.21

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