CID 170641197

C10H9KNO4PbS — CID 170641197

IUPAC—
SMILESCC(OC(=O)[Pb])c1ccc(C[S-])cc1[N+](=O)[O-].[K+]
InChIInChI=1S/C10H10NO4S.K.Pb/c1-7(15-6-12)9-3-2-8(5-16)4-10(9)11(13)14;;/h2-4,7,16H,5H2,1H3;;/q;+1;/p-1
InChIKeyQHXBOJQZQKFGOM-UHFFFAOYSA-M
MW485.55 g/mol
LogP-0.99
Rot. Bonds4

About CID 170641197

CID 170641197 (PubChem CID 170641197) has the molecular formula C10H9KNO4PbS and a molecular weight of 485.55 g/mol.

Molecular Properties

Compound NameCID 170641197
PubChem CID170641197
Molecular FormulaC10H9KNO4PbS
Molecular Weight485.55 g/mol
Exact Mass485.97
IUPAC Name—
SMILESCC(OC(=O)[Pb])c1ccc(C[S-])cc1[N+](=O)[O-].[K+]
InChIInChI=1S/C10H10NO4S.K.Pb/c1-7(15-6-12)9-3-2-8(5-16)4-10(9)11(13)14;;/h2-4,7,16H,5H2,1H3;;/q;+1;/p-1
InChIKeyQHXBOJQZQKFGOM-UHFFFAOYSA-M
XLogP-0.99
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.55
LogP ≤ 5-0.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

1-[5-(2,2-dimethylpropyl)-2-nitrophenyl]ethyl 2-methylpropanoate
CID 153300154
1-(4-bromo-2-nitrophenyl)ethyl acetate
CID 174400774
methane;1-[2-nitro-5-(3-oxobutyl)phenyl]ethyl propanoate
CID 167576311
1-[5-(acetamidomethyl)-2-nitrophenyl]ethyl N-ethenylcarbamate
CID 170414011
1-(3-methoxy-4-nitrophenyl)-3-methylbutan-2-one
CID 55233556
diethyl 2-(4-methyl-2-nitrophenyl)propanedioate
CID 15892661
methyl (2S)-2-(2,4-dinitrophenyl)propanoate
CID 57415967
CID 89194362
CID 89194362
(3,4-dinitrophenyl)methyl acetate
CID 152629976
2-bromo-1-(4-ethyl-2-nitrophenyl)propan-1-one
CID 134618990
4-methyl-2-[(3-nitro-4-propan-2-ylphenyl)methylamino]pentanoic acid
CID 120510087
2-[1-(2-nitrophenyl)ethoxycarbonylamino]acetic acid
CID 19067471

Frequently Asked Questions

What is the IUPAC name of CID 170641197?
The IUPAC name of CID 170641197 (CID 170641197) is not available.
What is the SMILES notation for CID 170641197?
The canonical SMILES for CID 170641197 is CC(OC(=O)[Pb])c1ccc(C[S-])cc1[N+](=O)[O-].[K+].
What is the InChIKey of CID 170641197?
The InChIKey is QHXBOJQZQKFGOM-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H10NO4S.K.Pb/c1-7(15-6-12)9-3-2-8(5-16)4-10(9)11(13)14;;/h2-4,7,16H,5H2,1H3;;/q;+1;/p-1.
What are the key properties of CID 170641197?
CID 170641197 has a molecular weight of 485.55 g/mol, XLogP of -0.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 170641197 is sourced from PubChem (CID 170641197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).