MolName : [(Z)-2,3-dihydrobenzo[f]chromen-1-ylideneamino]urea |
MolecularFormula : C14H13N3O2 |
Smiles : NC(N/N=C1\c(c2ccccc2cc2)c2OCC1)=O |
InChI : InChI=1S/C14H13N3O2/c15-14(18)17-16-11-7-8-19-12-6-5-9-3-1-2-4-10(9)13(11)12/h1-6H,7-8H2,(H3,15,17,18) |
InChIK : IYXQPKFWUQQYPC-UHFFFAOYSA-N |
TotalMolweight : 255.276 |
Molweight : 255.276 |
MonoisotopicMass : 255.100777 |
CLogP : 2.4134 |
CLogS : -4.914 |
H Acceptors : 5 |
H Donors : 2 |
TotalSurfaceArea : 192.58 |
Relative PSA : 0.31821 |
PolarSurfaceArea : 76.71 |
Druglikeness : 2.7571 |
Mutagenic : high |
Tumorigenic : high |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
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 : 3 |
Amides : 1 |
StereoCon : |
spacefill | wire | ball&stick | Iso-vdw | Opaque | Dot Surface| Mep | Translucent | Spin | Label On| Off |