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C14H13N3O2 | Cheminformatics

[(Z)-2,3-dihydrobenzo[f]chromen-1-ylideneamino]urea

Molecular Formula : C14H13N3O2 | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |
[(Z)-2,3-dihydrobenzo[f]chromen-1-ylideneamino]urea is a drug-like molecule.

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 :

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