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Chemical ID: 6427423

Chemical ID:

6427423

Name [?]:

N-cyclohexyl-N-methyl-4-nitro-aniline

SMILES [?]:

CN(c1ccc(cc1)[N+](=O)[O-])C2CCCCC2

InChi [?]:

InChI=1/C13H18N2O2/c1-14(11-5-3-2-4-6-11)12-7-9-13(10-8-12)15(16)17/h7-11H,2-6H2,1H3

InChi Info:

AuxInfo=1/0/N:1,15,14,16,13,17,4,8,5,7,12,3,6,2,9,10,11/E:(3,4)(5,6)(7,8)(9,10)(16,17)/CRV:15.5/rA:17cCNCCCCCCN+OO-CCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s2;s12;s13;s14;s15;s12s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₃H₁₈N₂O₂
All Atoms:	17
Heavy Atoms:	17
Chiral Atoms:	1

ZAP Information [?]

Total:	4.33508
Area:	421.893
Solvation:	-6.21225
Coulombic:	-19.3464

Bond Count [?]

All:	18
Single:	14
Double:	4
Rotors:	3
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	234.294
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	3.83
LogP (Chemaxon):	3.85

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value