Chemical ID: 7088737

CCN(CC)c1ccc(cc1)[N+](=O)[O-]
Chemical ID:
7088737
Name [?]:
N,N-diethyl-4-nitro-aniline
SMILES [?]:
CCN(CC)c1ccc(cc1)[N+](=O)[O-]
InChi [?]:
InChI=1/C10H14N2O2/c1-3-11(4-2)9-5-7-10(8-6-9)12(13)14/h5-8H,3-4H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,5,2,4,7,11,8,10,6,9,3,12,13,14/E:(1,2)(3,4)(5,6)(7,8)(13,14)/CRV:12.5/rA:14nCCNCCCCCCCCN+OO-/rB:s1;s2;s3;s4;s3;s6;d7;s8;d9;d6s10;s9;d12;s12;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H14N2O2
All Atoms:28
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:3.24548
Area:376.458
Solvation:-6.16597
Coulombic:-18.7435
Bond Count [?]
All:14
Single:10
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:194.23
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.85
LogP (Chemaxon):2.95

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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