CID 174147118

H3NO155 — CID 174147118

IUPAC—
SMILESOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOONOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOO
InChIInChI=1S/H3NO155/c2-6-10-14-18-22-26-30-34-38-42-46-50-54-58-62-66-70-74-78-82-86-90-94-98-102-106-110-114-118-122-126-130-134-138-142-146-150-154-152-148-144-140-136-132-128-124-120-116-112-108-104-100-96-92-88-84-80-76-72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4-1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-73-77-81-85-89-93-97-101-105-109-113-117-121-125-129-133-137-141-145-149-153-156-155-151-147-143-139-135-131-127-123-119-115-111-107-103-99-95-91-87-83-79-75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3/h1-3H
InChIKeyAJMGVJJCNFHVHN-UHFFFAOYSA-N
MW2496.88 g/mol
LogP-10.94
Rot. Bonds153

About CID 174147118

CID 174147118 (PubChem CID 174147118) has the molecular formula H3NO155 and a molecular weight of 2496.88 g/mol.

Molecular Properties

Compound NameCID 174147118
PubChem CID174147118
Molecular FormulaH3NO155
Molecular Weight2496.88 g/mol
Exact Mass2496.24
IUPAC Name—
SMILESOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOONOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOO
InChIInChI=1S/H3NO155/c2-6-10-14-18-22-26-30-34-38-42-46-50-54-58-62-66-70-74-78-82-86-90-94-98-102-106-110-114-118-122-126-130-134-138-142-146-150-154-152-148-144-140-136-132-128-124-120-116-112-108-104-100-96-92-88-84-80-76-72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4-1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-73-77-81-85-89-93-97-101-105-109-113-117-121-125-129-133-137-141-145-149-153-156-155-151-147-143-139-135-131-127-123-119-115-111-107-103-99-95-91-87-83-79-75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3/h1-3H
InChIKeyAJMGVJJCNFHVHN-UHFFFAOYSA-N
XLogP-10.94
TPSA1464.68 Ų
H-Bond Donors3
H-Bond Acceptors156
Rotatable Bonds153
Heavy Atoms156
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002496.88
LogP ≤ 5-10.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 10156

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 174147118?
The IUPAC name of CID 174147118 (CID 174147118) is not available.
What is the SMILES notation for CID 174147118?
The canonical SMILES for CID 174147118 is OOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOONOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOOO.
What is the InChIKey of CID 174147118?
The InChIKey is AJMGVJJCNFHVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/H3NO155/c2-6-10-14-18-22-26-30-34-38-42-46-50-54-58-62-66-70-74-78-82-86-90-94-98-102-106-110-114-118-122-126-130-134-138-142-146-150-154-152-148-144-140-136-132-128-124-120-116-112-108-104-100-96-92-88-84-80-76-72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4-1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-73-77-81-85-89-93-97-101-105-109-113-117-121-125-129-133-137-141-145-149-153-156-155-151-147-143-139-135-131-127-123-119-115-111-107-103-99-95-91-87-83-79-75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3/h1-3H.
What are the key properties of CID 174147118?
CID 174147118 has a molecular weight of 2496.88 g/mol, XLogP of -10.94, 153 rotatable bonds, 3 hydrogen bond donors, and 156 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174147118 is sourced from PubChem (CID 174147118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).