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Chemical ID: 4534342
Chemical ID:
4534342
Name [?]:
N-[(3-ethoxy-4-hydroxy-phenyl)methyleneamino]naphthalene-2-carboxamide
SMILES [?]:
CCOc1cc(ccc1O)C=NNC(=O)c2ccc3ccccc3c2
InChi [?]:
InChI=1/C20H18N2O3/c1-2-25-19-11-14(7-10-18(19)23)13-21-22-20(24)17-9-8-15-5-3-4-6-16(15)12-17/h3-13,23H,2H2,1H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,2,21,22,20,23,7,18,17,8,5,25,11,6,19,24,16,9,4,14,12,13,10,15,3/rA:25nCCOCCCCCCOCNNCOCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s6;w11;s12;s13;d14;s14;s16;d17;s18;s19;d20;s21;d22;d19s23;d16s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H18N2O3 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.31408 |
Area: | 553.199 |
Solvation: | -5.51589 |
Coulombic: | -44.1657 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 334.369 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 5.19 |
LogP (Chemaxon): | 4.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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