10-Methylacridin-9(10H)-imine--hydrogen iodide (1/1)

CAS Number: 36141-84-1
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CN(c1c2cccc1)c(cccc1)c1C2=N.I
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
HI.C14H12N2
Molecular Weight
208.263
Drug-likeness
1.2367
CAS
36141-84-1
InChI key
NYNVVTBEOOINHQ-UHFFFAOYSA-N
SMILES
CN(c1c2cccc1)c(cccc1)c1C2=N.I
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 36141-84-1
Molecule Name 10-Methylacridin-9(10H)-imine--hydrogen iodide (1/1)
Molecular Formula HI.C14H12N2
SMILES CN(c1c2cccc1)c(cccc1)c1C2=N.I
InChI InChI=1S/C14H12N2.HI/c1-16-12-8-4-2-6-10(12)14(15)11-7-3-5-9-13(11)16;/h2-9,15H,1H3;1H
InChI Key NYNVVTBEOOINHQ-UHFFFAOYSA-N
CanonicalSyTyLFy 9e1e2d2ac15b771f
TotalMolweight 336.171
Molecular Weight 208.263
MonoisotopicMass 208.100048
CLogP 2.722
CLogS -3.866
H Acceptors 2
H Donors 1
TotalSurfaceArea 162.39
Relative PSA 0.11793
PolarSurfaceArea 27.09
Drug-likeness 1.2367
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.5
Molecula Flexibility 0.10996
Molecular Complexity 0.76723
Fragments 2
Non HAtoms 16
NonCHAtoms 2
Electronegative Atoms 2
Rings Closures 3
Small Rings 3
Aromatic Rings 2
Aromatic Atoms 12
Sp3Atoms 2
Symmetricatoms 6
Amines 1
Aromatic Amines 1

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