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C23H23N3O5 | Cheminformatics
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(E)-2-(morpholine-4-carbonyl)-3-[5-[4-(morpholine-4-carbonyl)phenyl]furan-2-yl]prop-2-enenitrile

Molecular Formula : C23H23N3O5 | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |
(E)-2-(morpholine-4-carbonyl)-3-[5-[4-(morpholine-4-carbonyl)phenyl]furan-2-yl]prop-2-enenitrile is a drug-like molecule.

MolName : (E)-2-(morpholine-4-carbonyl)-3-[5-[4-(morpholine-4-carbonyl)phenyl]furan-2-yl]prop-2-enenitrile

MolecularFormula : C23H23N3O5

Smiles : N#C/C(/C(N1CCOCC1)=O)=C\c1ccc(-c(cc2)ccc2C(N2CCOCC2)=O)o1

InChI : InChI=1S/C23H23N3O5/c24-16-19(23(28)26-9-13-30-14-10-26)15-20-5-6-21(31-20)17-1-3-18(4-2-17)22(27)25-7-11-29-12-8-25/h1-6,15H,7-14H2

InChIK : XHRWWVCZORMKHK-UHFFFAOYSA-N

TotalMolweight : 421.452

Molweight : 421.452

MonoisotopicMass : 421.163772

CLogP : 2.1283

CLogS : -3.138

H Acceptors : 8

TotalSurfaceArea : 328.31

Relative PSA : 0.24626

PolarSurfaceArea : 96.01

Druglikeness : 0.2974

Mutagenic : high

Tumorigenic : high

Reproductive Effective : none

Irritant : none

Nasty Functions : twice activated DB

Shape Index : 0.6129

Fragments : 1

Non HAtoms : 31

NonCHAtoms : 8

Electronegative Atoms : 8

Rotatable Bond : 4

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 2

Aromatic Atoms : 11

Sp3Atoms : 10

Symmetricatoms : 6

Amides : 2

StereoCon :

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