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Chemical ID: 5194680
Chemical ID:
5194680
Name [?]:
4-(4-fluorobenzoyl)aminobenzoic acid
SMILES [?]:
c1cc(ccc1C(=O)O)NC(=O)c2ccc(cc2)F
InChi [?]:
InChI=1/C14H10FNO3/c15-11-5-1-9(2-6-11)13(17)16-12-7-3-10(4-8-12)14(18)19/h1-8H,(H,16,17)(H,18,19)
InChi Info:
AuxInfo=1/1/N:14,18,1,5,15,17,2,4,13,6,16,3,11,7,19,10,12,8,9/E:(1,2)(3,4)(5,6)(7,8)(18,19)/rA:19nCCCCCCCOONCOCCCCCCF/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s3;s10;d11;s11;s13;d14;s15;d16;d13s17;s16;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H10FNO3 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.40745 |
Area: | 438.18 |
Solvation: | -3.54705 |
Coulombic: | -53.1334 |
Bond Count [?]
All: | 20 |
Single: | 12 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 259.233 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 2.77 |
LogP (Chemaxon): | 2.76 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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