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C32H29N2O3ClP | Cheminformatics
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[(Z)-2-benzamido-1-chloro-3-morpholin-4-yl-3-oxoprop-1-enyl]-triphenylphosphanium

Molecular Formula : C32H29N2O3ClP | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
[(Z)-2-benzamido-1-chloro-3-morpholin-4-yl-3-oxoprop-1-enyl]-triphenylphosphanium is not a drug-like molecule.

MolName : [(Z)-2-benzamido-1-chloro-3-morpholin-4-yl-3-oxoprop-1-enyl]-triphenylphosphanium

MolecularFormula : C32H29N2O3ClP

Smiles : O=C(/C(/NC(c1ccccc1)=O)=C(\[P+](c1ccccc1)(c1ccccc1)c1ccccc1)/Cl)N1CCOCC1

InChI : InChI=1S/C32H28ClN2O3P/c33-30(29(32(37)35-21-23-38-24-22-35)34-31(36)25-13-5-1-6-14-25)39(26-15-7-2-8-16-26,27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-20H,21-24H2/p+1

InChIK : FNWDRXGIBZOWLB-UHFFFAOYSA-O

TotalMolweight : 556.02

Molweight : 556.02

MonoisotopicMass : 555.160432

CLogP : 7.2721

CLogS : -7.11

H Acceptors : 5

H Donors : 1

TotalSurfaceArea : 413.18

Relative PSA : 0.12365

PolarSurfaceArea : 58.64

Druglikeness : -3.5982

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : polar activated DB; phosphonium; 3-halo-enone

Shape Index : 0.33333

Fragments : 1

Non HAtoms : 39

NonCHAtoms : 7

Electronegative Atoms : 7

Rotatable Bond : 7

Rings Closures : 5

Small Rings : 5

Aromatic Rings : 4

Aromatic Atoms : 24

Sp3Atoms : 6

Symmetricatoms : 18

Amides : 2

StereoCon :

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