Chemical ID: 6868558

COc1ccc(cc1OC)c2cc(=Nc3ccccc3)c4ccccc4o2
Chemical ID:
6868558
Name [?]:
2-(3,4-dimethoxyphenyl)-N-phenyl-chromen-4-imine
SMILES [?]:
COc1ccc(cc1OC)c2cc(=Nc3ccccc3)c4ccccc4o2
InChi [?]:
InChI=1/C23H19NO3/c1-25-21-13-12-16(14-23(21)26-2)22-15-19(24-17-8-4-3-5-9-17)18-10-6-7-11-20(18)27-22/h3-15H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,18,17,19,23,24,16,20,22,25,5,4,7,12,6,15,21,13,26,3,11,8,14,2,9,27/E:(4,5)(8,9)/rA:27nCOCCCCCCOCCCCNCCCCCCCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;d11;s12;w13;s14;s15;d16;s17;d18;d15s19;s13;s21;d22;s23;d24;d21s25;s11s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H19NO3
All Atoms:46
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:8.70125
Area:556.295
Solvation:-5.20612
Coulombic:-30.1577
Bond Count [?]
All:30
Single:19
Double:11
Rotors:4
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:357.402
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.85
LogP (Chemaxon):5.64

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Descriptor Annotations

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