Chemical ID: 4279910

c1cc(ccc1C(=O)NN=Cc2ccc3c(c2)OCO3)F
Chemical ID:
4279910
Name [?]:
N-(benzo[1,3]dioxol-5-ylmethyleneamino)-4-fluoro-benzamide
SMILES [?]:
c1cc(ccc1C(=O)NN=Cc2ccc3c(c2)OCO3)F
InChi [?]:
InChI=1/C15H11FN2O3/c16-12-4-2-11(3-5-12)15(19)18-17-8-10-1-6-13-14(7-10)21-9-20-13/h1-8H,9H2,(H,18,19)
InChi Info:
AuxInfo=1/1/N:13,1,5,2,4,14,17,11,19,12,6,3,15,16,7,21,10,9,8,20,18/E:(2,3)(4,5)/rA:21nCCCCCCCONNCCCCCCCOCOF/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;w10;s11;s12;d13;s14;d15;d12s16;s16;s18;s15s19;s3;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H11FN2O3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:6.016
Area:458.58
Solvation:-5.44851
Coulombic:-38.921
Bond Count [?]
All:23
Single:15
Double:8
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:286.258
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.91
LogP (Chemaxon):3.07

Name Annotations

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Descriptor Annotations

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