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Chemical ID: 7181172
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
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Experimental Annotations
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Descriptor Annotations
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