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Chemical ID: 4330966
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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