(E)-3-naphthalen-1-yl-N'-[2-(4-phenylphenoxy)acetyl]prop-2-enehydrazide

Formula:C27H22N2O3 Mutagenic:none Tumorigenic:high Reproductive Effective:none (E)-3-naphthalen-1-yl-N'-[2-(4-phenylphenoxy)acetyl]prop-2-enehydrazide is a drug-like molecule.

MolName(E)-3-naphthalen-1-yl-N'-[2-(4-phenylphenoxy)acetyl]prop-2-enehydrazide
MolecularFormulaC27H22N2O3
SmilesO=C(COc(cc1)ccc1-c1ccccc1)NNC(/C=C/c1cccc2ccccc12)=O
InChIInChI=1S/C27H22N2O3/c30-26(18-15-23-11-6-10-22-9-4-5-12-25(22)23)28-29-27(31)19-32-24-16-13-21(14-17-24)20-7-2-1-3-8-20/h1-18H,19H2,(H,28,30)(H,29,31)
InChIKKKBYIYUQYZDPGV-UHFFFAOYSA-N
TotalMolweight422.483
Molweight422.483
MonoisotopicMass422.163043
CLogP4.3753
CLogS-7.152
H Acceptors5
H Donors2
TotalSurfaceArea336.06
Relative PSA0.17556
PolarSurfaceArea67.43
Druglikeness0.53757
Mutagenicnone
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.65625
Fragments1
Non HAtoms32
NonCHAtoms5
Electronegative Atoms5
Rotatable Bond7
Rings Closures4
Small Rings4
Aromatic Rings4
Aromatic Atoms22
Sp3Atoms2
Symmetricatoms4
StereoCon

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