[(Z)-(6-chloro-2,3-dihydrochromen-4-ylidene)amino]thiourea
Molecular Formula : C10H10N3OClS | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |[(Z)-(6-chloro-2,3-dihydrochromen-4-ylidene)amino]thiourea is a drug-like molecule.
MolName : [(Z)-(6-chloro-2,3-dihydrochromen-4-ylidene)amino]thiourea |
MolecularFormula : C10H10N3OClS |
Smiles : NC(N/N=C1\c(cc(cc2)Cl)c2OCC1)=S |
InChI : InChI=1S/C10H10ClN3OS/c11-6-1-2-9-7(5-6)8(3-4-15-9)13-14-10(12)16/h1-2,5H,3-4H2,(H3,12,14,16) |
InChIK : KXIIIXKLZWIYAI-UHFFFAOYSA-N |
TotalMolweight : 255.728 |
Molweight : 255.728 |
MonoisotopicMass : 255.023309 |
CLogP : 2.2217 |
CLogS : -4.128 |
H Acceptors : 4 |
H Donors : 2 |
TotalSurfaceArea : 188.36 |
Relative PSA : 0.40476 |
PolarSurfaceArea : 91.73 |
Druglikeness : 1.0645 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : thio-amide/urea |
Shape Index : 0.5625 |
Fragments : 1 |
Non HAtoms : 16 |
NonCHAtoms : 6 |
Electronegative Atoms : 6 |
Rotatable Bond : 1 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 1 |
Aromatic Atoms : 6 |
Sp3Atoms : 4 |
StereoCon : |