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C26H17N5O2Cl2 | Cheminformatics
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6-chloro-N-[(Z)-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl)methylideneamino]-4-phenylquinazolin-2-amine

Molecular Formula : C26H17N5O2Cl2 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
6-chloro-N-[(Z)-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl)methylideneamino]-4-phenylquinazolin-2-amine is not a drug-like molecule.

MolName : 6-chloro-N-[(Z)-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl)methylideneamino]-4-phenylquinazolin-2-amine

MolecularFormula : C26H17N5O2Cl2

Smiles : Clc1ccc2nc(N/N=C\c(c(Cl)nc3c4)cc3cc3c4OCCO3)nc(-c3ccccc3)c2c1

InChI : InChI=1S/C26H17Cl2N5O2/c27-18-6-7-20-19(12-18)24(15-4-2-1-3-5-15)32-26(31-20)33-29-14-17-10-16-11-22-23(35-9-8-34-22)13-21(16)30-25(17)28/h1-7,10-14H,8-9H2,(H,31,32,33)

InChIK : FCUAJUWXNZGNLS-UHFFFAOYSA-N

TotalMolweight : 502.36

Molweight : 502.36

MonoisotopicMass : 501.075929

CLogP : 8.3185

CLogS : -7.818

H Acceptors : 7

H Donors : 1

TotalSurfaceArea : 359.34

Relative PSA : 0.21116

PolarSurfaceArea : 81.52

Druglikeness : -5.2075

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : imine/hydrazone of aldehyde

Shape Index : 0.51429

Fragments : 1

Non HAtoms : 35

NonCHAtoms : 9

Electronegative Atoms : 9

Rotatable Bond : 4

Rings Closures : 6

Small Rings : 6

Aromatic Rings : 5

Aromatic Atoms : 26

Sp3Atoms : 4

Symmetricatoms : 2

Aromatic Nitrogens : 3

StereoCon :

Click to Load Molecule:
1 - 6-chloro-N-[(Z)-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl)methylideneamino]-4-phenylquinazolin-2-amine
2 - 6-chloro-N-[(Z)-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl)methylideneamino]-4-phenylquinazolin-2-amine
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Request More Details | 6-chloro-N-[(Z)-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl)methylideneamino]-4-phenylquinazolin-2-amine


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