Chemical ID: 7497768

CC(C(=O)N1CCCc2c1cccc2)Oc3ccc(cc3)[N+](=O)[O-]
Chemical ID:
7497768
Name [?]:
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-nitrophenoxy)-propan-1-one
SMILES [?]:
CC(C(=O)N1CCCc2c1cccc2)Oc3ccc(cc3)[N+](=O)[O-]
InChi [?]:
InChI=1/C18H18N2O4/c1-13(24-16-10-8-15(9-11-16)20(22)23)18(21)19-12-4-6-14-5-2-3-7-17(14)19/h2-3,5,7-11,13H,4,6,12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,13,12,7,14,8,11,18,20,17,21,6,2,9,19,16,10,3,5,22,4,23,24,15/E:(8,9)(10,11)(22,23)/CRV:20.5/rA:24cCCCONCCCCCCCCCOCCCCCCN+OO-/rB:s1;s2;d3;s3;s5;s6;s7;s8;s5s9;d10;s11;d12;d9s13;s2;s15;s16;d17;s18;d19;d16s20;s19;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H18N2O4
All Atoms:42
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:3.7971
Area:520.313
Solvation:-9.21072
Coulombic:-35.8915
Bond Count [?]
All:26
Single:18
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:326.347
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:3.32
LogP (Chemaxon):3.51

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue