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C13H11NO2 | Cheminformatics

(NZ)-N-(2,3-dihydrobenzo[f]chromen-1-ylidene)hydroxylamine

Molecular Formula : C13H11NO2 | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |
(NZ)-N-(2,3-dihydrobenzo[f]chromen-1-ylidene)hydroxylamine is a drug-like molecule.

MolName : (NZ)-N-(2,3-dihydrobenzo[f]chromen-1-ylidene)hydroxylamine

MolecularFormula : C13H11NO2

Smiles : O/N=C1\c(c2ccccc2cc2)c2OCC1

InChI : InChI=1S/C13H11NO2/c15-14-11-7-8-16-12-6-5-9-3-1-2-4-10(9)13(11)12/h1-6,15H,7-8H2

InChIK : VJMREEHQQHXSGS-UHFFFAOYSA-N

TotalMolweight : 213.235

Molweight : 213.235

MonoisotopicMass : 213.078979

CLogP : 3.4924

CLogS : -4.415

H Acceptors : 3

H Donors : 1

TotalSurfaceArea : 161.2

Relative PSA : 0.2147

PolarSurfaceArea : 41.82

Druglikeness : -1.469

Mutagenic : high

Tumorigenic : high

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.5

Fragments : 1

Non HAtoms : 16

NonCHAtoms : 3

Electronegative Atoms : 3

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 10

Sp3Atoms : 4

StereoCon :

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