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C23H17N4O2Cl | Cheminformatics

6-chloro-N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-4-phenylquinazolin-2-amine

Molecular Formula : C23H17N4O2Cl | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
6-chloro-N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-4-phenylquinazolin-2-amine is not a drug-like molecule.

MolName : 6-chloro-N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-4-phenylquinazolin-2-amine

MolecularFormula : C23H17N4O2Cl

Smiles : Clc1cc2c(-c3ccccc3)nc(N/N=C\c(cc3)cc4c3OCCO4)nc2cc1

InChI : InChI=1S/C23H17ClN4O2/c24-17-7-8-19-18(13-17)22(16-4-2-1-3-5-16)27-23(26-19)28-25-14-15-6-9-20-21(12-15)30-11-10-29-20/h1-9,12-14H,10-11H2,(H,26,27,28)

InChIK : IUVZISYPMGSVEE-UHFFFAOYSA-N

TotalMolweight : 416.867

Molweight : 416.867

MonoisotopicMass : 416.104003

CLogP : 7.2991

CLogS : -6.613

H Acceptors : 6

H Donors : 1

TotalSurfaceArea : 310.56

Relative PSA : 0.20901

PolarSurfaceArea : 68.63

Druglikeness : -5.2075

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : imine/hydrazone of aldehyde

Shape Index : 0.53333

Fragments : 1

Non HAtoms : 30

NonCHAtoms : 7

Electronegative Atoms : 7

Rotatable Bond : 4

Rings Closures : 5

Small Rings : 5

Aromatic Rings : 4

Aromatic Atoms : 22

Sp3Atoms : 4

Symmetricatoms : 2

Aromatic Nitrogens : 2

StereoCon :

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