Chemical ID: 4330966

c1cc(cc(c1)F)C(=O)Nc2ccc3c(c2)OCO3
Chemical ID:
4330966
Name [?]:
N-benzo[1,3]dioxol-5-yl-3-fluoro-benzamide
SMILES [?]:
c1cc(cc(c1)F)C(=O)Nc2ccc3c(c2)OCO3
InChi [?]:
InChI=1/C14H10FNO3/c15-10-3-1-2-9(6-10)14(17)16-11-4-5-12-13(7-11)19-8-18-12/h1-7H,8H2,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,6,12,13,4,16,18,3,5,11,14,15,8,7,10,9,19,17/rA:19nCCCCCCFCONCCCCCCOCO/rB:s1;d2;s3;d4;d1s5;s5;s3;d8;s8;s10;s11;d12;s13;d14;d11s15;s15;s17;s14s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H10FNO3
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:6.41817
Area:424.69
Solvation:-4.19907
Coulombic:-41.1317
Bond Count [?]
All:21
Single:14
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:259.233
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.91
LogP (Chemaxon):2.93

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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