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C14H13N3OS | Cheminformatics

[(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 :

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