(1-Hydrazinylpentyl)phosphonic acid

CAS Number: 60347-11-7
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CCCCC(NN)P(O)(O)=O
Molecule Information
Mutagenic: none Tumorigenic: high Irritant: none
Formula
C5H15N2O3P
Molecular Weight
182.159
Drug-likeness
-19.653
CAS
60347-11-7
InChI key
WBTJCYKOWBCBCE-YFKPBYRVSA-N
SMILES
CCCCC(NN)P(O)(O)=O
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
high
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 60347-11-7
Molecule Name (1-Hydrazinylpentyl)phosphonic acid
Molecular Formula C5H15N2O3P
SMILES CCCCC(NN)P(O)(O)=O
InChI InChI=1S/C5H15N2O3P/c1-2-3-4-5(7-6)11(8,9)10/h5,7H,2-4,6H2,1H3,(H2,8,9,10)/t5-/m0/s1
InChI Key WBTJCYKOWBCBCE-YFKPBYRVSA-N
CanonicalSyTyLFy fa19da7ae6e6a516
TotalMolweight 182.159
Molecular Weight 182.159
MonoisotopicMass 182.08203
CLogP -3.538
CLogS -0.623
H Acceptors 5
H Donors 4
TotalSurfaceArea 135.99
Relative PSA 0.51438
PolarSurfaceArea 105.39
Drug-likeness -19.653
Mutagenic none
Tumorigenic high
Reproductive Effective none
Irritant none
Nasty Functions hydrazine
Shape Index 0.63636
Molecula Flexibility 0.58745
Molecular Complexity 0.61821
Fragments 1
Non HAtoms 11
NonCHAtoms 6
Electronegative Atoms 6
StereoCenters 1
Rotatable Bond 5
Sp3Atoms 10
Symmetricatoms 1
AcidicOxygens 2
StereoCon racemate

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