Chemical ID: 6400565

COc1cc(ccc1O)C=NNC(=O)c2cccc3c2cccc3
Chemical ID:
6400565
Name [?]:
N-[(4-hydroxy-3-methoxy-phenyl)methyleneamino]naphthalene-1-carboxamide
SMILES [?]:
COc1cc(ccc1O)C=NNC(=O)c2cccc3c2cccc3
InChi [?]:
InChI=1/C19H16N2O3/c1-24-18-11-13(9-10-17(18)22)12-20-21-19(23)16-8-4-6-14-5-2-3-7-15(14)16/h2-12,22H,1H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,23,22,17,24,18,21,16,6,7,4,10,5,19,20,15,8,3,13,11,12,9,14,2/rA:24nCOCCCCCCOCNNCOCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s5;w10;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;d21;s22;s19d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H16N2O3
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:7.44913
Area:517.599
Solvation:-5.49084
Coulombic:-44.2023
Bond Count [?]
All:26
Single:16
Double:10
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:320.342
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:4.77
LogP (Chemaxon):3.71

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