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Chemical ID: 6636064
Chemical ID:
6636064
Name [?]:
3-fluoro-N-[(2-methoxy-1-naphthyl)methyleneamino]benzamide
SMILES [?]:
COc1ccc2ccccc2c1C=NNC(=O)c3cccc(c3)F
InChi [?]:
InChI=1/C19H15FN2O2/c1-24-18-10-9-13-5-2-3-8-16(13)17(18)12-21-22-19(23)14-6-4-7-15(20)11-14/h2-12H,1H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,8,9,20,7,19,21,10,5,4,23,13,6,18,22,11,12,3,16,24,14,15,17,2/rA:24nCOCCCCCCCCCCCNNCOCCCCCCF/rB:s1;s2;s3;d4;s5;s6;d7;s8;d9;d6s10;d3s11;s12;w13;s14;s15;d16;s16;s18;d19;s20;d21;d18s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H15FN2O2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.26223 |
Area: | 505.203 |
Solvation: | -5.36783 |
Coulombic: | -31.1712 |
Bond Count [?]
All: | 26 |
Single: | 16 |
Double: | 10 |
Rotors: | 5 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 322.333 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 5.34 |
LogP (Chemaxon): | 4.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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