Chemical ID: 4196153

c1ccc2cc(ccc2c1)OCC(=O)Nc3cc(ccc3Cl)[N+](=O)[O-]
Chemical ID:
4196153
Name [?]:
N-(2-chloro-5-nitro-phenyl)-2-(2-naphthyloxy)acetamide
SMILES [?]:
c1ccc2cc(ccc2c1)OCC(=O)Nc3cc(ccc3Cl)[N+](=O)[O-]
InChi [?]:
InChI=1/C18H13ClN2O4/c19-16-8-6-14(21(23)24)10-17(16)20-18(22)11-25-15-7-5-12-3-1-2-4-13(12)9-15/h1-10H,11H2,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,2,10,3,8,19,7,20,5,17,12,9,4,18,6,21,16,13,22,15,23,14,24,25,11/E:(23,24)/CRV:21.5/rA:25nCCCCCCCCCCOCCONCCCCCCClN+OO-/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;d1s9;s6;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s21;s18;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H13ClN2O4
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:4.81394
Area:559.547
Solvation:-9.17473
Coulombic:-40.6594
Bond Count [?]
All:27
Single:17
Double:10
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:356.76
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.33
LogP (Chemaxon):3.7

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