hydrazine;(4-nitrophenyl)-phenylmethanone;hydrochloride

C13H14ClN3O3 — CID 172745216

IUPAChydrazine;(4-nitrophenyl)-phenylmethanone;hydrochloride
SMILESCl.NN.O=C(c1ccccc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H9NO3.ClH.H4N2/c15-13(10-4-2-1-3-5-10)11-6-8-12(9-7-11)14(16)17;;1-2/h1-9H;1H;1-2H2
InChIKeyJPZKKGMWQJUPNF-UHFFFAOYSA-N
MW295.73 g/mol
LogP2.07
Rot. Bonds3

About hydrazine;(4-nitrophenyl)-phenylmethanone;hydrochloride

hydrazine;(4-nitrophenyl)-phenylmethanone;hydrochloride (PubChem CID 172745216) has the molecular formula C13H14ClN3O3 and a molecular weight of 295.73 g/mol. Its IUPAC name is hydrazine;(4-nitrophenyl)-phenylmethanone;hydrochloride.

Molecular Properties

Compound Namehydrazine;(4-nitrophenyl)-phenylmethanone;hydrochloride
PubChem CID172745216
Molecular FormulaC13H14ClN3O3
Molecular Weight295.73 g/mol
Exact Mass295.07
IUPAC Namehydrazine;(4-nitrophenyl)-phenylmethanone;hydrochloride
SMILESCl.NN.O=C(c1ccccc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H9NO3.ClH.H4N2/c15-13(10-4-2-1-3-5-10)11-6-8-12(9-7-11)14(16)17;;1-2/h1-9H;1H;1-2H2
InChIKeyJPZKKGMWQJUPNF-UHFFFAOYSA-N
XLogP2.07
TPSA112.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.73
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze hydrazine;(4-nitrophenyl)-phenylmethanone;hydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

carbonic acid;(4-nitrophenyl)-phenylmethanone;hydrochloride
CID 175319577
acetic acid;(4-nitrophenyl)-phenylmethanone
CID 162340702
carbamodithioic acid;(4-nitrophenyl)-phenylmethanone
CID 174955967
methanediimine;bis((4-nitrophenyl)-phenylmethanone)
CID 174915149
(4-nitrophenyl)-phenylmethanone;oxaldehydic acid
CID 175307297
(4-nitrophenyl)-phenylmethanone;propan-2-ol
CID 174454674
diphenylmethanone;1-methyl-4-nitrobenzene
CID 160968328
(4-benzoylphenyl) 4-nitrobenzoate
CID 2678928
chloro-[chloro(difluoro)methyl]sulfanyl-difluoromethane;(4-nitrophenyl)-phenylmethanone
CID 174813783
1-aminoethylurea;(4-nitrophenyl)-phenylmethanone
CID 174426591
(4-nitrophenyl)-phenylmethanone;propyl carbamate
CID 174494585
(4-aminophenyl)-phenylmethanol;(4-aminophenyl)-phenylmethanone;(4-nitrophenyl)-phenylmethanone
CID 157315680

Frequently Asked Questions

What is the IUPAC name of hydrazine;(4-nitrophenyl)-phenylmethanone;hydrochloride?
The IUPAC name of hydrazine;(4-nitrophenyl)-phenylmethanone;hydrochloride (CID 172745216) is hydrazine;(4-nitrophenyl)-phenylmethanone;hydrochloride.
What is the SMILES notation for hydrazine;(4-nitrophenyl)-phenylmethanone;hydrochloride?
The canonical SMILES for hydrazine;(4-nitrophenyl)-phenylmethanone;hydrochloride is Cl.NN.O=C(c1ccccc1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of hydrazine;(4-nitrophenyl)-phenylmethanone;hydrochloride?
The InChIKey is JPZKKGMWQJUPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO3.ClH.H4N2/c15-13(10-4-2-1-3-5-10)11-6-8-12(9-7-11)14(16)17;;1-2/h1-9H;1H;1-2H2.
What are the key properties of hydrazine;(4-nitrophenyl)-phenylmethanone;hydrochloride?
hydrazine;(4-nitrophenyl)-phenylmethanone;hydrochloride has a molecular weight of 295.73 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hydrazine;(4-nitrophenyl)-phenylmethanone;hydrochloride is sourced from PubChem (CID 172745216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).