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Chemical ID: 7423856
Chemical ID:
7423856
Name [?]:
N-(2-fluorophenyl)-7,7-dimethyl-2,3-dioxo-norbornane-1-carboxamide
SMILES [?]:
CC1(C2CCC1(C(=O)C2=O)C(=O)Nc3ccccc3F)C
InChi [?]:
InChI=1/C16H16FNO3/c1-15(2)9-7-8-16(15,13(20)12(9)19)14(21)18-11-6-4-3-5-10(11)17/h3-6,9H,7-8H2,1-2H3,(H,18,21)
InChi Info:
AuxInfo=1/1/N:1,21,17,16,18,15,4,5,3,19,14,9,7,11,2,6,20,13,10,8,12/E:(1,2)/rA:21cCCCCCCCOCOCONCCCCCCFC/rB:s1;s2;s3;s4;s2s5;s6;d7;s3s7;d9;s6;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s2;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H16FNO3 |
All Atoms: | 37 |
Heavy Atoms: | 21 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 7.14055 |
Area: | 444.364 |
Solvation: | -3.96854 |
Coulombic: | -40.79 |
Bond Count [?]
All: | 23 |
Single: | 17 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 289.302 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.03 |
LogP (Chemaxon): | 3.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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