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Chemical ID: 6732377
Chemical ID:
6732377
Name [?]:
2-(4-fluorobenzoyl)aminobenzoate
SMILES [?]:
c1ccc(c(c1)C(=O)[O-])NC(=O)c2ccc(cc2)F
InChi [?]:
InChI=1/C14H10FNO3/c15-10-7-5-9(6-8-10)13(17)16-12-4-2-1-3-11(12)14(18)19/h1-8H,(H,16,17)(H,18,19)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,6,3,14,18,15,17,13,16,5,4,11,7,19,10,12,8,9/E:(5,6)(7,8)(18,19)/rA:19nCCCCCCCOO-NCOCCCCCCF/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s4;s10;d11;s11;s13;d14;s15;d16;d13s17;s16;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H9FNO3- |
All Atoms: | 28 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -30.2281 |
Area: | 420.522 |
Solvation: | -40.7411 |
Coulombic: | -29.9811 |
Bond Count [?]
All: | 20 |
Single: | 12 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 258.225 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.93 |
LogP (Chemaxon): | 3.41 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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