Chemical ID: 6427256

c1cc(ccc1NC2CCCC2)[N+](=O)[O-]
Chemical ID:
6427256
Name [?]:
N-cyclopentyl-4-nitro-aniline
SMILES [?]:
c1cc(ccc1NC2CCCC2)[N+](=O)[O-]
InChi [?]:
InChI=1/C11H14N2O2/c14-13(15)11-7-5-10(6-8-11)12-9-3-1-2-4-9/h5-9,12H,1-4H2
InChi Info:
AuxInfo=1/0/N:10,11,9,12,1,5,2,4,8,6,3,7,13,14,15/E:(1,2)(3,4)(5,6)(7,8)(14,15)/CRV:13.5/rA:15nCCCCCCNCCCCCN+OO-/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;s8s11;s3;d13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H14N2O2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:3.52776
Area:388.253
Solvation:-6.17857
Coulombic:-24.2605
Bond Count [?]
All:16
Single:12
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:206.241
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.7
LogP (Chemaxon):2.76

Name Annotations

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Descriptor Annotations

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