N-[3-(4-Hydroxyphenyl)acryloyl]glycine

CAS Number: 10003-42-6
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OC(CNC(C=Cc(cc1)ccc1O)=O)=O
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C11H11NO4
Molecular Weight
221.211
Drug-likeness
-4.7046
CAS
10003-42-6
InChI key
NZSACLXQEHBCNF-UHFFFAOYSA-N
SMILES
OC(CNC(C=Cc(cc1)ccc1O)=O)=O
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 10003-42-6
Molecule Name N-[3-(4-Hydroxyphenyl)acryloyl]glycine
Molecular Formula C11H11NO4
SMILES OC(CNC(C=Cc(cc1)ccc1O)=O)=O
InChI InChI=1S/C11H11NO4/c13-9-4-1-8(2-5-9)3-6-10(14)12-7-11(15)16/h1-6,13H,7H2,(H,12,14)(H,15,16)
InChI Key NZSACLXQEHBCNF-UHFFFAOYSA-N
CanonicalSyTyLFy 1d0b3365e62fc5ff
TotalMolweight 221.211
Molecular Weight 221.211
MonoisotopicMass 221.068809
CLogP 0.2119
CLogS -1.47
H Acceptors 5
H Donors 3
TotalSurfaceArea 173.18
Relative PSA 0.36806
PolarSurfaceArea 86.63
Drug-likeness -4.7046
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.75
Molecula Flexibility 0.41155
Molecular Complexity 0.49057
Fragments 1
Non HAtoms 16
NonCHAtoms 5
Electronegative Atoms 5
Rotatable Bond 4
Rings Closures 1
Small Rings 1
Aromatic Rings 1
Aromatic Atoms 6
Sp3Atoms 3
Symmetricatoms 2
Amides 1
AcidicOxygens 1

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