Chemical ID: 4623402

COc1cc(c(n1c2ccccc2)Oc3ccccc3)C#N
Chemical ID:
4623402
Name [?]:
5-methoxy-2-phenoxy-1-phenyl-pyrrole-3-carbonitrile
SMILES [?]:
COc1cc(c(n1c2ccccc2)Oc3ccccc3)C#N
InChi [?]:
InChI=1/C18H14N2O2/c1-21-17-12-14(13-19)18(22-16-10-6-3-7-11-16)20(17)15-8-4-2-5-9-15/h2-12H,1H3
InChi Info:
AuxInfo=1/0/N:1,11,18,10,12,17,19,9,13,16,20,4,21,5,8,15,3,6,22,7,2,14/E:(4,5)(6,7)(8,9)(10,11)/rA:22nCOCCCCNCCCCCCOCCCCCCCN/rB:s1;s2;d3;s4;d5;s3s6;s7;s8;d9;s10;d11;d8s12;s6;s14;s15;d16;s17;d18;d15s19;s5;t21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H14N2O2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:8.22605
Area:481.631
Solvation:-3.81473
Coulombic:-26.6961
Bond Count [?]
All:24
Single:15
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:290.316
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.71
LogP (Chemaxon):3.59

Name Annotations

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Descriptor Annotations

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