Chemical ID: 6727321

COc1ccc(c(c1)C=NNC(=O)c2cccc3c2cccc3)O
Chemical ID:
6727321
Name [?]:
N-[(2-hydroxy-5-methoxy-phenyl)methyleneamino]naphthalene-1-carboxamide
SMILES [?]:
COc1ccc(c(c1)C=NNC(=O)c2cccc3c2cccc3)O
InChi [?]:
InChI=1/C19H16N2O3/c1-24-15-9-10-18(22)14(11-15)12-20-21-19(23)17-8-4-6-13-5-2-3-7-16(13)17/h2-12,22H,1H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,22,21,16,23,17,20,15,4,5,8,9,18,7,3,19,14,6,12,10,11,24,13,2/rA:24nCOCCCCCCCNNCOCCCCCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;w9;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;d20;s21;s18d22;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H16N2O3
All Atoms:40
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:7.96508
Area:511.355
Solvation:-4.81879
Coulombic:-44.1643
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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