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C18H13N4O3FS | Cheminformatics
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1-(3-fluorophenyl)-3-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]thiourea

Molecular Formula : C18H13N4O3FS | Mutagenic : high | Tumorigenic : high | Reproductive Effective : high |
1-(3-fluorophenyl)-3-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]thiourea is a drug-like molecule.

MolName : 1-(3-fluorophenyl)-3-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]thiourea

MolecularFormula : C18H13N4O3FS

Smiles : [O-][N+](c1cccc(-c2ccc(/C=N\NC(Nc3cc(F)ccc3)=S)o2)c1)=O

InChI : InChI=1S/C18H13FN4O3S/c19-13-4-2-5-14(10-13)21-18(27)22-20-11-16-7-8-17(26-16)12-3-1-6-15(9-12)23(24)25/h1-11H,(H2,21,22,27)

InChIK : VMWLGSDCUSJQTK-UHFFFAOYSA-N

TotalMolweight : 384.39

Molweight : 384.39

MonoisotopicMass : 384.069239

CLogP : 3.7103

CLogS : -6.555

H Acceptors : 7

H Donors : 2

TotalSurfaceArea : 292.88

Relative PSA : 0.3652

PolarSurfaceArea : 127.47

Druglikeness : -1.9705

Mutagenic : high

Tumorigenic : high

Reproductive Effective : high

Irritant : none

Nasty Functions : aromatic nitro; imine/hydrazone of aldehyde; thio-amide/urea

Shape Index : 0.62963

Fragments : 1

Non HAtoms : 27

NonCHAtoms : 9

Electronegative Atoms : 9

Rotatable Bond : 5

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 3

Aromatic Atoms : 17

Sp3Atoms : 2

AcidicOxygens : 1

StereoCon :

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