CID 173360990

C23H34AsCl — CID 173360990

IUPAC—
SMILESCCCCCCCCCC([As])C(CC)c1cccc2ccccc12.Cl
InChIInChI=1S/C23H33As.ClH/c1-3-5-6-7-8-9-10-18-23(24)20(4-2)22-17-13-15-19-14-11-12-16-21(19)22;/h11-17,20,23H,3-10,18H2,1-2H3;1H
InChIKeyMPXMAQIARUKHHI-UHFFFAOYSA-N
MW420.90 g/mol
LogP7.85
Rot. Bonds11

About CID 173360990

CID 173360990 (PubChem CID 173360990) has the molecular formula C23H34AsCl and a molecular weight of 420.90 g/mol.

Molecular Properties

Compound NameCID 173360990
PubChem CID173360990
Molecular FormulaC23H34AsCl
Molecular Weight420.90 g/mol
Exact Mass420.16
IUPAC Name—
SMILESCCCCCCCCCC([As])C(CC)c1cccc2ccccc12.Cl
InChIInChI=1S/C23H33As.ClH/c1-3-5-6-7-8-9-10-18-23(24)20(4-2)22-17-13-15-19-14-11-12-16-21(19)22;/h11-17,20,23H,3-10,18H2,1-2H3;1H
InChIKeyMPXMAQIARUKHHI-UHFFFAOYSA-N
XLogP7.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.90
LogP ≤ 57.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze CID 173360990 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

1-octacosan-4-ylnaphthalene
CID 54149804
1-tetracosan-9-ylnaphthalene
CID 175897855
1-hexadecan-6-ylnaphthalene
CID 14029925
1-decan-5-ylnaphthalene
CID 14029915
(1R)-1-naphthalen-1-ylhexan-1-amine
CID 171212033
1-[(3S)-non-1-en-3-yl]naphthalene
CID 102346574
1-(2-naphthalen-1-ylpentan-3-yl)naphthalene
CID 57238705
N-(1-naphthalen-1-ylethyl)octan-2-amine
CID 43130017
2-naphthalen-1-yldodecanoic acid
CID 23333439
5-naphthalen-1-ylheptadecan-2-one
CID 142778100
1-[(2R)-butan-2-yl]naphthalene;pentane
CID 142150914
1-(1,1-dimethoxy-1-naphthalen-1-yldecan-2-yl)naphthalene
CID 150761297

Frequently Asked Questions

What is the IUPAC name of CID 173360990?
The IUPAC name of CID 173360990 (CID 173360990) is not available.
What is the SMILES notation for CID 173360990?
The canonical SMILES for CID 173360990 is CCCCCCCCCC([As])C(CC)c1cccc2ccccc12.Cl.
What is the InChIKey of CID 173360990?
The InChIKey is MPXMAQIARUKHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33As.ClH/c1-3-5-6-7-8-9-10-18-23(24)20(4-2)22-17-13-15-19-14-11-12-16-21(19)22;/h11-17,20,23H,3-10,18H2,1-2H3;1H.
What are the key properties of CID 173360990?
CID 173360990 has a molecular weight of 420.90 g/mol, XLogP of 7.85, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173360990 is sourced from PubChem (CID 173360990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).