Chemical ID: 5628167

COc1ccc2cc(c(=Nc3ccccc3)oc2c1)C(=O)N
Chemical ID:
5628167
Name [?]:
7-methoxy-2-phenylimino-chromene-3-carboxamide
SMILES [?]:
COc1ccc2cc(c(=Nc3ccccc3)oc2c1)C(=O)N
InChi [?]:
InChI=1/C17H14N2O3/c1-21-13-8-7-11-9-14(16(18)20)17(22-15(11)10-13)19-12-5-3-2-4-6-12/h2-10H,1H3,(H2,18,20)
InChi Info:
AuxInfo=1/1/N:1,14,13,15,12,16,5,4,7,19,6,11,3,8,18,20,9,22,10,21,2,17/E:(3,4)(5,6)/rA:22nCOCCCCCCCNCCCCCCOCCCON/rB:s1;s2;s3;d4;s5;s6;d7;s8;w9;s10;s11;d12;s13;d14;d11s15;s9;d6s17;d3s18;s8;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H14N2O3
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:7.12486
Area:449.203
Solvation:-4.10522
Coulombic:-47.6091
Bond Count [?]
All:24
Single:15
Double:9
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:294.305
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:2.15
LogP (Chemaxon):3.04

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Descriptor Annotations

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