Spermine tetrahydrochloride

CAS Number: 306-67-2
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NCCCNCCCCNCCCN.Cl.Cl.Cl.Cl
Molecule Information
Mutagenic: high Tumorigenic: none Irritant: none
Formula
HCl.HCl.HCl.HCl.C10H26N4
Molecular Weight
202.344
Drug-likeness
-5.3518
CAS
306-67-2
InChI key
XLDKUDAXZWHPFH-UHFFFAOYSA-N
SMILES
NCCCNCCCCNCCCN.Cl.Cl.Cl.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
high
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 306-67-2
Molecule Name Spermine tetrahydrochloride
Molecular Formula HCl.HCl.HCl.HCl.C10H26N4
SMILES NCCCNCCCCNCCCN.Cl.Cl.Cl.Cl
InChI InChI=1S/C10H26N4.4ClH/c11-5-3-9-13-7-1-2-8-14-10-4-6-12;;;;/h13-14H,1-12H2;4*1H
InChI Key XLDKUDAXZWHPFH-UHFFFAOYSA-N
CanonicalSyTyLFy 65944e8f60ee65f8
TotalMolweight 348.188
Molecular Weight 202.344
MonoisotopicMass 202.215746
CLogP -0.9876
CLogS -0.772
H Acceptors 4
H Donors 4
TotalSurfaceArea 191.06
Relative PSA 0.27981
PolarSurfaceArea 76.1
Drug-likeness -5.3518
Mutagenic high
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 1
Molecula Flexibility 0.65712
Molecular Complexity 0.34657
Fragments 5
Non HAtoms 14
NonCHAtoms 4
Electronegative Atoms 4
Rotatable Bond 11
Sp3Atoms 14
Symmetricatoms 7
Amines 4
AlkylAmines 4
BasicNitrogens 4

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