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C21H24N5 2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]quinazolin-4-amine | Chemryt

2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]quinazolin-4-amine

Molecular Formula : C21H24N5 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : |

MolName : 2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]quinazolin-4-amine

MolecularFormula : C21H24N5

Smiles : Nc1nc(N2CC[NH+](C/C=C/c3ccccc3)CC2)nc2ccccc12

InChI : InChI=1S/C21H23N5/c22-20-18-10-4-5-11-19(18)23-21(24-20)26-15-13-25(14-16-26)12-6-9-17-7-2-1-3-8-17/h1-11H,12-16H2,(H2,22,23,24)/p+1

InChIK : QBIAHEQRVFDFQK-UHFFFAOYSA-O

TotalMolweight : 346.457

Molweight : 346.457

MonoisotopicMass : 346.20317

CLogP : 1.3049

CLogS : -4.43

H Acceptors : 5

H Donors : 2

TotalSurfaceArea : 290.1

Relative PSA : 0.20114

PolarSurfaceArea : 59.48

Druglikeness : 1.55

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Shape Index : 0.65385

Fragments : 1

Non HAtoms : 26

NonCHAtoms : 5

Electronegative Atoms : 5

Rotatable Bond : 4

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 3

Aromatic Atoms : 16

Sp3Atoms : 6

Symmetricatoms : 4

Amines : 1

AlkylAmines : 1

Aromatic Nitrogens : 2

BasicNitrogens : 3

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