Fluorphlogopite (Mg3K[AlF2O(SiO3)???3]???)

CAS Number: 12003-38-2

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[O-][Si]([O-][Al+]([O-][Si]([O-])=O)([O-][Si]([O-])=O)([F-])([F-])=O)=O.[Mg+2].[Mg+2].[K+]

Molecule Information

Mutagenic: none Tumorigenic: none Irritant: high

Formula

K.O10AlF2Si3.Mg.Mg

Molecular Weight

309.226

Drug-likeness

-10.916

CAS

12003-38-2

InChI key

SRFUZUPQNFHQMF-UHFFFAOYSA-L

SMILES

[O-][Si]([O-][Al+]([O-][Si]([O-])=O)([O-][Si]([O-])=O)([F-])([F-])=O)=O.[Mg+2].[Mg+2].[K+]

ChemrytIQ

CAS Information Snapshot

1 database item

Mutagenic

none

Tumorigenic

none

Handling Watch

Irritant: high | Reproductive effective: none

Molecule Information
Related CAS

Property	Value
CAS Number	12003-38-2
Molecule Name	Fluorphlogopite (Mg3K[AlF2O(SiO3)???3]???)
Molecular Formula	K.O10AlF2Si3.Mg.Mg
SMILES	[O-][Si]([O-][Al+]([O-][Si]([O-])=O)([O-][Si]([O-])=O)([F-])([F-])=O)=O.[Mg+2].[Mg+2].[K+]
InChI	InChI=1S/Al.2FH.K.2Mg.3O3Si.O/c;;;;;;31-4(2)3;/h;21H;;;;;;;/q+1;;;+1;2+2;3-2;/p-2
InChI Key	SRFUZUPQNFHQMF-UHFFFAOYSA-L
CanonicalSyTyLFy	5bc06b80506d0424
TotalMolweight	396.934
Molecular Weight	309.226
MonoisotopicMass	308.858267
CLogP	1.3268
CLogS	-1.016
H Acceptors	10
TotalSurfaceArea	164.04
Relative PSA	0.84028
PolarSurfaceArea	206.64
Drug-likeness	-10.916
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	acyl-halogenide type; unwanted a
Shape Index	0.4375
Molecula Flexibility	0.49532
Molecular Complexity	0.6621
Fragments	4
Non HAtoms	16
NonCHAtoms	16
Metal Atoms	1
Electronegative Atoms	12
Rotatable Bond	6
Sp3Atoms	6
Symmetricatoms	9

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