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Chemical ID: 6427256
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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Experimental Annotations
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Descriptor Annotations
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