Chemical ID: 4409076

CN(c1ccc(cc1[N+](=O)[O-])C(F)(F)F)C2CCCCC2
Chemical ID:
4409076
Name [?]:
N-cyclohexyl-N-methyl-2-nitro-4-(trifluoromethyl)aniline
SMILES [?]:
CN(c1ccc(cc1[N+](=O)[O-])C(F)(F)F)C2CCCCC2
InChi [?]:
InChI=1/C14H17F3N2O2/c1-18(11-5-3-2-4-6-11)12-8-7-10(14(15,16)17)9-13(12)19(20)21/h7-9,11H,2-6H2,1H3
InChi Info:
AuxInfo=1/0/N:1,19,18,20,17,21,5,4,7,6,16,3,8,12,13,14,15,2,9,10,11/E:(3,4)(5,6)(15,16,17)(20,21)/CRV:19.5/rA:21cCNCCCCCCN+OO-CFFFCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s9;s6;s12;s12;s12;s2;s16;s17;s18;s19;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H17F3N2O2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:2.24109
Area:444.06
Solvation:-8.86042
Coulombic:-34.7027
Bond Count [?]
All:22
Single:18
Double:4
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:302.292
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.75
LogP (Chemaxon):4.73

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Descriptor Annotations

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