CID 174602937

C9H12B — CID 174602937

IUPAC—
SMILES[BH]c1c(C)cc(C)cc1C
InChIInChI=1S/C9H12B/c1-6-4-7(2)9(10)8(3)5-6/h4-5,10H,1-3H3
InChIKeyZSAPMGOVLOBECM-UHFFFAOYSA-N
MW131.01 g/mol
LogP1.14
Rot. Bonds

About CID 174602937

CID 174602937 (PubChem CID 174602937) has the molecular formula C9H12B and a molecular weight of 131.01 g/mol.

Molecular Properties

Compound NameCID 174602937
PubChem CID174602937
Molecular FormulaC9H12B
Molecular Weight131.01 g/mol
Exact Mass131.10
IUPAC Name—
SMILES[BH]c1c(C)cc(C)cc1C
InChIInChI=1S/C9H12B/c1-6-4-7(2)9(10)8(3)5-6/h4-5,10H,1-3H3
InChIKeyZSAPMGOVLOBECM-UHFFFAOYSA-N
XLogP1.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.01
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 174602937?
The IUPAC name of CID 174602937 (CID 174602937) is not available.
What is the SMILES notation for CID 174602937?
The canonical SMILES for CID 174602937 is [BH]c1c(C)cc(C)cc1C.
What is the InChIKey of CID 174602937?
The InChIKey is ZSAPMGOVLOBECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12B/c1-6-4-7(2)9(10)8(3)5-6/h4-5,10H,1-3H3.
What are the key properties of CID 174602937?
CID 174602937 has a molecular weight of 131.01 g/mol, XLogP of 1.14, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174602937 is sourced from PubChem (CID 174602937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).