Chemical ID: 6715124

COc1ccc2c(c1)cc(c(=Nc3ccc(cc3)C#N)o2)C(=O)N
Chemical ID:
6715124
Name [?]:
2-(4-cyanophenyl)imino-6-methoxy-chromene-3-carboxamide
SMILES [?]:
COc1ccc2c(c1)cc(c(=Nc3ccc(cc3)C#N)o2)C(=O)N
InChi [?]:
InChI=1/C18H13N3O3/c1-23-14-6-7-16-12(8-14)9-15(17(20)22)18(24-16)21-13-4-2-11(10-19)3-5-13/h2-9H,1H3,(H2,20,22)
InChi Info:
AuxInfo=1/1/N:1,15,17,14,18,4,5,8,9,19,16,7,13,3,10,6,22,11,20,24,12,23,2,21/E:(2,3)(4,5)/rA:24nCOCCCCCCCCCNCCCCCCCNOCON/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s10;w11;s12;s13;d14;s15;d16;d13s17;s16;t19;s6s11;s10;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H13N3O3
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:8.40919
Area:525.169
Solvation:-4.72004
Coulombic:-49.9024
Bond Count [?]
All:26
Single:16
Double:9
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:319.314
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:1.88
LogP (Chemaxon):2.85

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