(2-Methylnaphthalen-1-yl)di(propan-2-yl)phosphane

CAS Number: 625856-28-2
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CC(C)P(C(C)C)c1c(C)ccc2ccccc12
Molecule Information
Mutagenic: high Tumorigenic: low Irritant: low
Formula
C17H23P
Molecular Weight
258.344
Drug-likeness
-20.024
CAS
625856-28-2
InChI key
YPOYHUJQBXMWGO-UHFFFAOYSA-N
SMILES
CC(C)P(C(C)C)c1c(C)ccc2ccccc12
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
high
Tumorigenic
low
Handling Watch
Irritant: low | Reproductive effective: low
PropertyValue
CAS Number 625856-28-2
Molecule Name (2-Methylnaphthalen-1-yl)di(propan-2-yl)phosphane
Molecular Formula C17H23P
SMILES CC(C)P(C(C)C)c1c(C)ccc2ccccc12
InChI InChI=1S/C17H23P/c1-12(2)18(13(3)4)17-14(5)10-11-15-8-6-7-9-16(15)17/h6-13H,1-5H3
InChI Key YPOYHUJQBXMWGO-UHFFFAOYSA-N
CanonicalSyTyLFy c40d760127185132
TotalMolweight 258.344
Molecular Weight 258.344
MonoisotopicMass 258.153737
CLogP 5.2862
CLogS -5.707
TotalSurfaceArea 200.91
PolarSurfaceArea 13.59
Drug-likeness -20.024
Mutagenic high
Tumorigenic low
Reproductive Effective low
Irritant low
Shape Index 0.44444
Molecula Flexibility 0.37748
Molecular Complexity 0.70898
Fragments 1
Non HAtoms 18
NonCHAtoms 1
Electronegative Atoms 1
Rotatable Bond 3
Rings Closures 2
Small Rings 2
Aromatic Rings 2
Aromatic Atoms 10
Sp3Atoms 8
Symmetricatoms 4

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