Chemical ID: 6712366

COc1cccc2c1oc(=Nc3cccc4c3cccc4)c(c2)C(=O)N
Chemical ID:
6712366
Name [?]:
8-methoxy-2-(1-naphthylimino)chromene-3-carboxamide
SMILES [?]:
COc1cccc2c1oc(=Nc3cccc4c3cccc4)c(c2)C(=O)N
InChi [?]:
InChI=1/C21H16N2O3/c1-25-18-11-5-8-14-12-16(20(22)24)21(26-19(14)18)23-17-10-4-7-13-6-2-3-9-15(13)17/h2-12H,1H3,(H2,22,24)
InChi Info:
AuxInfo=1/1/N:1,20,19,14,5,21,15,6,18,13,4,23,16,7,17,22,12,3,8,24,10,26,11,25,2,9/rA:26nCOCCCCCCOCNCCCCCCCCCCCCCON/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;w10;s11;s12;d13;s14;d15;d12s16;s17;d18;s19;s16d20;s10;s7d22;s22;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H16N2O3
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:7.57422
Area:515.534
Solvation:-5.31412
Coulombic:-48.3892
Bond Count [?]
All:29
Single:18
Double:11
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:344.363
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:3.42
LogP (Chemaxon):4.04

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Descriptor Annotations

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