(E)-3-(2-aminophenyl)-2-(4-aminophenyl)prop-2-enoic acid

Formula:C15H14N2O2 Mutagenic:high Tumorigenic:low Reproductive Effective:high (E)-3-(2-aminophenyl)-2-(4-aminophenyl)prop-2-enoic acid is a drug-like molecule.

MolName(E)-3-(2-aminophenyl)-2-(4-aminophenyl)prop-2-enoic acid
MolecularFormulaC15H14N2O2
SmilesNc(cc1)ccc1/C(/C(O)=O)=C\c(cccc1)c1N
InChIInChI=1S/C15H14N2O2/c16-12-7-5-10(6-8-12)13(15(18)19)9-11-3-1-2-4-14(11)17/h1-9H,16-17H2,(H,18,19)
InChIKDDYPCFVOYMWXCZ-UHFFFAOYSA-N
TotalMolweight254.288
Molweight254.288
MonoisotopicMass254.105528
CLogP1.4561
CLogS-3.108
H Acceptors4
H Donors3
TotalSurfaceArea198.87
Relative PSA0.28501
PolarSurfaceArea89.34
Druglikeness0.46659
Mutagenichigh
Tumorigeniclow
Reproductive Effectivehigh
Irritanthigh
Nasty Functions
Shape Index0.57895
Fragments1
Non HAtoms19
NonCHAtoms4
Electronegative Atoms4
Rotatable Bond3
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms1
Symmetricatoms2
Amines2
Aromatic Amines2
AcidicOxygens1
StereoCon

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