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1-[(Z)-[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]-3-(3-chlorophenyl)thiourea

Formula:C24H25N4OClS Mutagenic:high Tumorigenic:none Reproductive Effective:high 1-[(Z)-[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]-3-(3-chlorophenyl)thiourea is a drug-like molecule.
MolName1-[(Z)-[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]-3-(3-chlorophenyl)thiourea
MolecularFormulaC24H25N4OClS
SmilesS=C(Nc1cccc(Cl)c1)N/N=C\C(CC/C1=C\c2ccccc2)=C1N1CCOCC1
InChIInChI=1S/C24H25ClN4OS/c25-21-7-4-8-22(16-21)27-24(31)28-26-17-20-10-9-19(15-18-5-2-1-3-6-18)23(20)29-11-13-30-14-12-29/h1-8,15-17H,9-14H2,(H2,27,28,31)
InChIKZOBCEFVYZQOEHN-UHFFFAOYSA-N
TotalMolweight453.009
Molweight453.009
MonoisotopicMass452.143758
CLogP4.7777
CLogS-5.623
H Acceptors5
H Donors2
TotalSurfaceArea352.32
Relative PSA0.21566
PolarSurfaceArea80.98
Druglikeness3.2247
Mutagenichigh
Tumorigenicnone
Reproductive Effectivehigh
Irritantlow
Nasty Functionsimine/hydrazone of aldehyde; thio-amide/urea
Shape Index0.54839
Fragments1
Non HAtoms31
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond5
Rings Closures4
Small Rings4
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms8
Symmetricatoms4
StereoCon

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