CID 134898603

C14H31MoP3- — CID 134898603

IUPAC—
SMILESCP(C)C.CP(C)C.[CH2-]P(C)C.[CH]1C=CC=C1.[Mo]
InChIInChI=1S/C5H5.2C3H9P.C3H8P.Mo/c1-2-4-5-3-1;3*1-4(2)3;/h1-5H;2*1-3H3;1H2,2-3H3;/q;;;-1;
InChIKeyDTVHKRZIPGEINZ-UHFFFAOYSA-N
MW388.26 g/mol
LogP5.55
Rot. Bonds

About CID 134898603

CID 134898603 (PubChem CID 134898603) has the molecular formula C14H31MoP3- and a molecular weight of 388.26 g/mol.

Molecular Properties

Compound NameCID 134898603
PubChem CID134898603
Molecular FormulaC14H31MoP3-
Molecular Weight388.26 g/mol
Exact Mass390.07
IUPAC Name—
SMILESCP(C)C.CP(C)C.[CH2-]P(C)C.[CH]1C=CC=C1.[Mo]
InChIInChI=1S/C5H5.2C3H9P.C3H8P.Mo/c1-2-4-5-3-1;3*1-4(2)3;/h1-5H;2*1-3H3;1H2,2-3H3;/q;;;-1;
InChIKeyDTVHKRZIPGEINZ-UHFFFAOYSA-N
XLogP5.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.26
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze CID 134898603 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 CID 134898603?
The IUPAC name of CID 134898603 (CID 134898603) is not available.
What is the SMILES notation for CID 134898603?
The canonical SMILES for CID 134898603 is CP(C)C.CP(C)C.[CH2-]P(C)C.[CH]1C=CC=C1.[Mo].
What is the InChIKey of CID 134898603?
The InChIKey is DTVHKRZIPGEINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5.2C3H9P.C3H8P.Mo/c1-2-4-5-3-1;3*1-4(2)3;/h1-5H;2*1-3H3;1H2,2-3H3;/q;;;-1;.
What are the key properties of CID 134898603?
CID 134898603 has a molecular weight of 388.26 g/mol, XLogP of 5.55, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134898603 is sourced from PubChem (CID 134898603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).