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Chemical ID: 6400565
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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