Chemical ID: 7462704

c1ccc2c(c1)cc(cn2)[NH2+]Cc3cc(cc(c3[O-])Cl)Cl
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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