Chemical ID: 7494806

c1cc(cc(c1)[N+](=O)[O-])C(=O)ON=C2CCCCC2
Chemical ID:
7494806
Name [?]:
cyclohexylideneamino 3-nitrobenzoate
SMILES [?]:
c1cc(cc(c1)[N+](=O)[O-])C(=O)ON=C2CCCCC2
InChi [?]:
InChI=1/C13H14N2O4/c16-13(19-14-11-6-2-1-3-7-11)10-5-4-8-12(9-10)15(17)18/h4-5,8-9H,1-3,6-7H2
InChi Info:
AuxInfo=1/0/N:17,16,18,1,2,15,19,6,4,3,14,5,10,13,7,11,8,9,12/E:(2,3)(6,7)(17,18)/CRV:15.5/rA:19nCCCCCCN+OO-COONCCCCCC/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s3;d10;s10;s12;d13;s14;s15;s16;s17;s14s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H14N2O4
All Atoms:33
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:4.14743
Area:459.671
Solvation:-7.34434
Coulombic:-27.1729
Bond Count [?]
All:20
Single:14
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:262.261
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:3.11
LogP (Chemaxon):3.65

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Descriptor Annotations

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