Molecule

ID:1930

General Information
Structure
MolImage
Molecular Formula
C₃₀H₂₈CoN₄O₄+++
Molecular Mass
567.50092
Exact Mass
567.1442504
Charge
3
InChI
InChI=1S/C30H29N4O4.Co/c1-15-9-20-12-25-17(3)21(5-7-29(35)36)27(33-25)14-28-22(6-8-30(37)38)18(4)26(34-28)13-24-16(2)10-19(32-24)11-23(15)31-20;/h9-14H,5-8H2,1-4H3,(H3,32,33,34,35,36,37,38);/q-1;+5/p-1
InChIKey
ULKKNZWGFVTPRT-UHFFFAOYSA-M
Canonic Smiles
OC(=O)CCC1=C(C)C2=[N+]3C1=Cc1c(CCC(=O)O)c(c4[n-]1[Co+3]13[N+]3=C(C=C(C3=C4)C)C=c3[n-]1c(=C2)cc3C)C
Isomeric Smiles
Cc1cc2=CC3=[N+]4C(=Cc5c(CCC(=O)O)c(C)c6C=C7C(=CC8=[N+]7[Co+3]4([n-]2c1=C8)[n-]56)C)C(=C3C)CCC(=O)O
Calculated Properties
JChem
H Acceptors
0
H Donor
0
Molar Refractivity
151.3093
Polar Surface Area
90.12
Rotatable Bonds
6
Lipinski's Rule of Five
false
ALOGPS 2.1
Log P
0.74
LOG S
-6.55
Solubility (Water)
2.08e-04 g/l
Data Source
Names and Identifiers
Synonyms
Co(III)-(Deuteroporphyrin IX)
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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