[(Z)-2,3-dihydrobenzo[f]chromen-1-ylideneamino]thiourea
Molecular Formula : C14H13N3OS | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |[(Z)-2,3-dihydrobenzo[f]chromen-1-ylideneamino]thiourea is a drug-like molecule.
MolName : [(Z)-2,3-dihydrobenzo[f]chromen-1-ylideneamino]thiourea |
MolecularFormula : C14H13N3OS |
Smiles : NC(N/N=C1\c(c2ccccc2cc2)c2OCC1)=S |
InChI : InChI=1S/C14H13N3OS/c15-14(19)17-16-11-7-8-18-12-6-5-9-3-1-2-4-10(9)13(11)12/h1-6H,7-8H2,(H3,15,17,19) |
InChIK : CSOADSXAZRJUAV-UHFFFAOYSA-N |
TotalMolweight : 271.343 |
Molweight : 271.343 |
MonoisotopicMass : 271.077932 |
CLogP : 2.8101 |
CLogS : -4.998 |
H Acceptors : 4 |
H Donors : 2 |
TotalSurfaceArea : 207.54 |
Relative PSA : 0.36735 |
PolarSurfaceArea : 91.73 |
Druglikeness : 0.97592 |
Mutagenic : high |
Tumorigenic : high |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : thio-amide/urea |
Shape Index : 0.52632 |
Fragments : 1 |
Non HAtoms : 19 |
NonCHAtoms : 5 |
Electronegative Atoms : 5 |
Rotatable Bond : 1 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 2 |
Aromatic Atoms : 10 |
Sp3Atoms : 4 |
StereoCon : |