Chemical ID: 6636064

COc1ccc2ccccc2c1C=NNC(=O)c3cccc(c3)F
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

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