Chemryt - We contribute to the Chemicals, Pharmaceutical & Biotech industry using information technology

Casrn : 65406-12-4

MolName : Potassium N-{5-carboxy-5-[(1-hydroxy-3-phenylpropylidene)amino]pentyl}-3-phenylpropanimidate

MolecularFormula : K.C24H29N2O4

Smiles : [O-]/C(/CCc1ccccc1)=N\CCCCC(C(O)=O)/N=C(/CCc1ccccc1)\O.[K+]

InChI : InChI=1S/C24H30N2O4.K/c27-22(16-14-19-9-3-1-4-10-19)25-18-8-7-13-21(24(29)30)26-23(28)17-15-20-11-5-2-6-12-20;/h1-6,9-12,21H,7-8,13-18H2,(H,25,27)(H,26,28)(H,29,30);/q;+1/p-1/t21-;/m0./s1

InChIK : NNPLESKEFDZGCK-BOXHHOBZSA-M

CanonicalSyTyLFy : 6f13d09403dac8a2

TotalMolweight : 448.602

Molweight : 409.504

MonoisotopicMass : 409.212733

CLogP : 1.6528

CLogS : -4.119

H Acceptors : 6

H Donors : 2

TotalSurfaceArea : 339.52

Relative PSA : 0.22544

PolarSurfaceArea : 105.31

Druglikeness : -2.8458

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.7

Molecula Flexibility : 0.52873

Molecular Complexity : 0.63634

Fragments : 2

Non HAtoms : 30

NonCHAtoms : 6

Electronegative Atoms : 6

StereoCenters : 1

Rotatable Bond : 13

Rings Closures : 2

Small Rings : 2

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 12

Symmetricatoms : 4

AcidicOxygens : 1

StereoCon : racemate