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Chemical ID: 6727321
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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