Chemical ID: 7181172

c1ccc(c(c1)C[NH2+]CCc2ccc(cc2Cl)Cl)[N+](=O)[O-]
Chemical ID:
7181172
Name [?]:
2-(2,4-dichlorophenyl)ethyl-[(2-nitrophenyl)methyl]ammonium
SMILES [?]:
c1ccc(c(c1)C[NH2+]CCc2ccc(cc2Cl)Cl)[N+](=O)[O-]
InChi [?]:
InChI=1/C15H14Cl2N2O2/c16-13-6-5-11(14(17)9-13)7-8-18-10-12-3-1-2-4-15(12)19(20)21/h1-6,9,18H,7-8,10H2/p+1
InChi Info:
AuxInfo=1/1/N:1,2,6,3,12,13,10,9,15,7,11,5,14,16,4,18,17,8,19,20,21/E:(20,21)/CRV:19.5/rA:21nCCCCCCCN+CCCCCCCCClClN+OO-/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s16;s14;s4;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H15Cl2N2O2+
All Atoms:36
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:-22.3863
Area:516.528
Solvation:-35.2995
Coulombic:16.8665
Bond Count [?]
All:22
Single:15
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:326.197
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:4.42
LogP (Chemaxon):4.59

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