[(Z)-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]urea

Formula:C19H15N5O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none [(Z)-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]urea is a drug-like molecule.

MolName[(Z)-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]urea
MolecularFormulaC19H15N5O2
SmilesNC(N/N=C\c1cn(-c2ccccc2)nc1-c1cc(cccc2)c2o1)=O
InChIInChI=1S/C19H15N5O2/c20-19(25)22-21-11-14-12-24(15-7-2-1-3-8-15)23-18(14)17-10-13-6-4-5-9-16(13)26-17/h1-12H,(H3,20,22,25)
InChIKRDCZZSMEDVUTIH-UHFFFAOYSA-N
TotalMolweight345.361
Molweight345.361
MonoisotopicMass345.122575
CLogP2.5969
CLogS-5.178
H Acceptors7
H Donors2
TotalSurfaceArea267.52
Relative PSA0.31112
PolarSurfaceArea98.44
Druglikeness5.7342
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsimine/hydrazone of aldehyde
Shape Index0.46154
Fragments1
Non HAtoms26
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond4
Rings Closures4
Small Rings4
Aromatic Rings4
Aromatic Atoms20
Symmetricatoms2
Amides1
Aromatic Nitrogens2
StereoCon

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