CID 101103904

C6H5 — CID 101103904

IUPAC—
SMILES[2H]c1[c]c([2H])c([2H])cc1[2H]
InChIInChI=1S/C6H5/c1-2-4-6-5-3-1/h1-5H/i2D,3D,4D,5D
InChIKeyCIUQDSCDWFSTQR-QFFDRWTDSA-N
MW81.13 g/mol
LogP1.49
Rot. Bonds

About CID 101103904

CID 101103904 (PubChem CID 101103904) has the molecular formula C6H5 and a molecular weight of 81.13 g/mol.

Molecular Properties

Compound NameCID 101103904
PubChem CID101103904
Molecular FormulaC6H5
Molecular Weight81.13 g/mol
Exact Mass81.06
IUPAC Name—
SMILES[2H]c1[c]c([2H])c([2H])cc1[2H]
InChIInChI=1S/C6H5/c1-2-4-6-5-3-1/h1-5H/i2D,3D,4D,5D
InChIKeyCIUQDSCDWFSTQR-QFFDRWTDSA-N
XLogP1.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50081.13
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 101103904?
The IUPAC name of CID 101103904 (CID 101103904) is not available.
What is the SMILES notation for CID 101103904?
The canonical SMILES for CID 101103904 is [2H]c1[c]c([2H])c([2H])cc1[2H].
What is the InChIKey of CID 101103904?
The InChIKey is CIUQDSCDWFSTQR-QFFDRWTDSA-N. The full InChI is InChI=1S/C6H5/c1-2-4-6-5-3-1/h1-5H/i2D,3D,4D,5D.
What are the key properties of CID 101103904?
CID 101103904 has a molecular weight of 81.13 g/mol, XLogP of 1.49, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101103904 is sourced from PubChem (CID 101103904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).