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C20H17N3O2Cl2 | Cheminformatics
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(E)-2-(1H-benzimidazol-2-yl)-3-(2,3-dichlorophenyl)-1-morpholin-4-ylprop-2-en-1-one

Molecular Formula : C20H17N3O2Cl2 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
(E)-2-(1H-benzimidazol-2-yl)-3-(2,3-dichlorophenyl)-1-morpholin-4-ylprop-2-en-1-one is a drug-like molecule.

MolName : (E)-2-(1H-benzimidazol-2-yl)-3-(2,3-dichlorophenyl)-1-morpholin-4-ylprop-2-en-1-one

MolecularFormula : C20H17N3O2Cl2

Smiles : O=C(/C(/c1nc(cccc2)c2[nH]1)=C/c1cccc(Cl)c1Cl)N1CCOCC1

InChI : InChI=1S/C20H17Cl2N3O2/c21-15-5-3-4-13(18(15)22)12-14(20(26)25-8-10-27-11-9-25)19-23-16-6-1-2-7-17(16)24-19/h1-7,12H,8-11H2,(H,23,24)

InChIK : ZMTVLWQABZOFDN-UHFFFAOYSA-N

TotalMolweight : 402.28

Molweight : 402.28

MonoisotopicMass : 401.069781

CLogP : 3.701

CLogS : -3.62

H Acceptors : 5

H Donors : 1

TotalSurfaceArea : 291.09

Relative PSA : 0.17709

PolarSurfaceArea : 58.22

Druglikeness : 4.2073

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.40741

Fragments : 1

Non HAtoms : 27

NonCHAtoms : 7

Electronegative Atoms : 7

Rotatable Bond : 3

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 3

Aromatic Atoms : 15

Sp3Atoms : 5

Symmetricatoms : 2

Amides : 1

Aromatic Nitrogens : 2

BasicNitrogens : 1

StereoCon :

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2 - (E)-2-(1H-benzimidazol-2-yl)-3-(2,3-dichlorophenyl)-1-morpholin-4-ylprop-2-en-1-one
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