hydroxy(phenyl)carbamic acid

C7H7NO3 — CID 18185964

IUPAChydroxy(phenyl)carbamic acid
SMILESO=C(O)N(O)c1ccccc1
InChIInChI=1S/C7H7NO3/c9-7(10)8(11)6-4-2-1-3-5-6/h1-5,11H,(H,9,10)
InChIKeySIZKDIQMNFWPBD-UHFFFAOYSA-N
MW153.14 g/mol
LogP1.56
Rot. Bonds1

About hydroxy(phenyl)carbamic acid

hydroxy(phenyl)carbamic acid (PubChem CID 18185964) has the molecular formula C7H7NO3 and a molecular weight of 153.14 g/mol. Its IUPAC name is hydroxy(phenyl)carbamic acid.

Molecular Properties

Compound Namehydroxy(phenyl)carbamic acid
PubChem CID18185964
Molecular FormulaC7H7NO3
Molecular Weight153.14 g/mol
Exact Mass153.04
IUPAC Namehydroxy(phenyl)carbamic acid
SMILESO=C(O)N(O)c1ccccc1
InChIInChI=1S/C7H7NO3/c9-7(10)8(11)6-4-2-1-3-5-6/h1-5,11H,(H,9,10)
InChIKeySIZKDIQMNFWPBD-UHFFFAOYSA-N
XLogP1.56
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze hydroxy(phenyl)carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of hydroxy(phenyl)carbamic acid?
The IUPAC name of hydroxy(phenyl)carbamic acid (CID 18185964) is hydroxy(phenyl)carbamic acid.
What is the SMILES notation for hydroxy(phenyl)carbamic acid?
The canonical SMILES for hydroxy(phenyl)carbamic acid is O=C(O)N(O)c1ccccc1.
What is the InChIKey of hydroxy(phenyl)carbamic acid?
The InChIKey is SIZKDIQMNFWPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO3/c9-7(10)8(11)6-4-2-1-3-5-6/h1-5,11H,(H,9,10).
What are the key properties of hydroxy(phenyl)carbamic acid?
hydroxy(phenyl)carbamic acid has a molecular weight of 153.14 g/mol, XLogP of 1.56, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy(phenyl)carbamic acid is sourced from PubChem (CID 18185964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).