CID 10305458

H48N46 — CID 10305458

IUPAC—
SMILESNN(N)N(N(N)N)N(N(N(N)N)N(N)N)N(N(N(N(N)N)N(N)N)N(N(N)N)N(N)N)N(N(N(N)N)N(N)N)N(N(N)N)N(N)N
InChIInChI=1S/H48N46/c1-25(2)37(26(3)4)43(38(27(5)6)28(7)8)46(44(39(29(9)10)30(11)12)40(31(13)14)32(15)16)45(41(33(17)18)34(19)20)42(35(21)22)36(23)24/h1-24H2
InChIKeyVNIXIRKUWVBKFJ-UHFFFAOYSA-N
MW692.71 g/mol
LogP-21.19
Rot. Bonds21

About CID 10305458

CID 10305458 (PubChem CID 10305458) has the molecular formula H48N46 and a molecular weight of 692.71 g/mol.

Molecular Properties

Compound NameCID 10305458
PubChem CID10305458
Molecular FormulaH48N46
Molecular Weight692.71 g/mol
Exact Mass692.52
IUPAC Name—
SMILESNN(N)N(N(N)N)N(N(N(N)N)N(N)N)N(N(N(N(N)N)N(N)N)N(N(N)N)N(N)N)N(N(N(N)N)N(N)N)N(N(N)N)N(N)N
InChIInChI=1S/H48N46/c1-25(2)37(26(3)4)43(38(27(5)6)28(7)8)46(44(39(29(9)10)30(11)12)40(31(13)14)32(15)16)45(41(33(17)18)34(19)20)42(35(21)22)36(23)24/h1-24H2
InChIKeyVNIXIRKUWVBKFJ-UHFFFAOYSA-N
XLogP-21.19
TPSA695.76 Ų
H-Bond Donors24
H-Bond Acceptors46
Rotatable Bonds21
Heavy Atoms46
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500692.71
LogP ≤ 5-21.19
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1046

Computed Properties (RDKit)

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

Analyze CID 10305458 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 10305458?
The IUPAC name of CID 10305458 (CID 10305458) is not available.
What is the SMILES notation for CID 10305458?
The canonical SMILES for CID 10305458 is NN(N)N(N(N)N)N(N(N(N)N)N(N)N)N(N(N(N(N)N)N(N)N)N(N(N)N)N(N)N)N(N(N(N)N)N(N)N)N(N(N)N)N(N)N.
What is the InChIKey of CID 10305458?
The InChIKey is VNIXIRKUWVBKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/H48N46/c1-25(2)37(26(3)4)43(38(27(5)6)28(7)8)46(44(39(29(9)10)30(11)12)40(31(13)14)32(15)16)45(41(33(17)18)34(19)20)42(35(21)22)36(23)24/h1-24H2.
What are the key properties of CID 10305458?
CID 10305458 has a molecular weight of 692.71 g/mol, XLogP of -21.19, 21 rotatable bonds, 24 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10305458 is sourced from PubChem (CID 10305458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).