Chemical ID: 6935557

CC(C)(C)CC(=O)Nc1ccc(c(c1)[N+](=O)[O-])F
Chemical ID:
6935557
Name [?]:
N-(4-fluoro-3-nitro-phenyl)-3,3-dimethyl-butanamide
SMILES [?]:
CC(C)(C)CC(=O)Nc1ccc(c(c1)[N+](=O)[O-])F
InChi [?]:
InChI=1/C12H15FN2O3/c1-12(2,3)7-11(16)14-8-4-5-9(13)10(6-8)15(17)18/h4-6H,7H2,1-3H3,(H,14,16)
InChi Info:
AuxInfo=1/1/N:1,3,4,10,11,14,5,9,12,13,6,2,18,8,15,7,16,17/E:(1,2,3)(17,18)/CRV:15.5/rA:18nCCCCCCONCCCCCCN+OO-F/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;d10;s11;d12;d9s13;s13;d15;s15;s12;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H15FN2O3
All Atoms:33
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:1.4563
Area:427.075
Solvation:-9.22059
Coulombic:-33.1405
Bond Count [?]
All:18
Single:13
Double:5
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:254.258
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.14
LogP (Chemaxon):3.25

Name Annotations

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Descriptor Annotations

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