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C18H10NO3ClF2 | Cheminformatics
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[(Z)-[5-(2,4-difluorophenyl)furan-2-yl]methylideneamino] 4-chlorobenzoate

Molecular Formula : C18H10NO3ClF2 | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |
[(Z)-[5-(2,4-difluorophenyl)furan-2-yl]methylideneamino] 4-chlorobenzoate is not a drug-like molecule.

MolName : [(Z)-[5-(2,4-difluorophenyl)furan-2-yl]methylideneamino] 4-chlorobenzoate

MolecularFormula : C18H10NO3ClF2

Smiles : O=C(c(cc1)ccc1Cl)O/N=C\c1ccc(-c(ccc(F)c2)c2F)o1

InChI : InChI=1S/C18H10ClF2NO3/c19-12-3-1-11(2-4-12)18(23)25-22-10-14-6-8-17(24-14)15-7-5-13(20)9-16(15)21/h1-10H

InChIK : HWFTWDFVSGIFJA-UHFFFAOYSA-N

TotalMolweight : 361.73

Molweight : 361.73

MonoisotopicMass : 361.031727

CLogP : 5.6646

CLogS : -6.595

H Acceptors : 4

TotalSurfaceArea : 263.1

Relative PSA : 0.18495

PolarSurfaceArea : 51.8

Druglikeness : -2.2979

Mutagenic : high

Tumorigenic : high

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.68

Fragments : 1

Non HAtoms : 25

NonCHAtoms : 7

Electronegative Atoms : 7

Rotatable Bond : 5

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 3

Aromatic Atoms : 17

Sp3Atoms : 1

Symmetricatoms : 2

StereoCon :

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1 - [(Z)-[5-(2,4-difluorophenyl)furan-2-yl]methylideneamino] 4-chlorobenzoate
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