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Chemical ID: 7462704
Chemical ID:
7462704
Name [?]:
2,4-dichloro-6-(3-quinolylammoniomethyl)phenolate
SMILES [?]:
c1ccc2c(c1)cc(cn2)[NH2+]Cc3cc(cc(c3[O-])Cl)Cl
InChi [?]:
InChI=1/C16H12Cl2N2O/c17-12-5-11(16(21)14(18)7-12)8-19-13-6-10-3-1-2-4-15(10)20-9-13/h1-7,9,19,21H,8H2
InChi Info:
AuxInfo=1/1/N:1,2,6,3,14,7,16,12,9,5,13,15,8,17,4,18,21,20,11,10,19/rA:21nCCCCCCCCCNN+CCCCCCCO-ClCl/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s8;s11;s12;s13;d14;s15;d16;d13s17;s18;s17;s15;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H12Cl2N2O |
All Atoms: | 33 |
Heavy Atoms: | 21 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | -18.1597 |
Area: | 509.81 |
Solvation: | -30.905 |
Coulombic: | -2.59186 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 3 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.32 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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