21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),4,6,8(23),9,11,13(22),14,16,18(21)-undecaene

• ChemBase ID: 126508
• Molecular Formular: C20H14N4
• Molecular Mass: 310.35196
• Monoisotopic Mass: 310.12184647
• SMILES: N1=C2/C=C/3\N=C(/C=C/4\N=C(C=C4)/C=C\4/C=CC(=N4)/C=C\1/CC2)C=C3
• Canonical SMILES: C1C/C/2=C/C3=N/C(=C\C4=N/C(=C\C5=N/C(=C\C1=N2)/C=C5)/C=C4)/C=C3
• InChI: InChI=1S/C20H14N4/c1-2-14-10-16-5-6-18(23-16)12-20-8-7-19(24-20)11-17-4-3-15(22-17)9-13(1)21-14/h1-6,9-12H,7-8H2/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-
• InChIKey: WGSLWEXCQQBACX-CEVVSZFKSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 21,22,23,24-tetraazapentacyclo[16.2.1.1^3,^6.1^8,^1^1.1^1^3,^1^6]tetracosa-1,3(24),4,6,8(23),9,11,13(22),14,16,18(21)-undecaene
• IUPAC Traditional name: chlorin
• Synonyms: Chlorin

Database IDs

• CAS Number: 2683-84-3
• PubChem SID: 162220841
• PubChem CID: 66788048; 65106
• CHEBI ID: 36303
• Chemspider ID: 58616
• Wikipedia Title: Chlorin

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.0570214
• LogD (pH = 7.4): 2.3719742
• Log P: 2.3771005
• Molar Refractivity: 104.7319 cm^3
• Polarizability: 35.160633 Å^3
• Polar Surface Area: 49.44 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true