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Chemical ID: 6147341
Chemical ID:
6147341
Name [?]:
(6-chloro-2-phenyl-chromen-4-ylidene)-(2-furylmethyl)ammonium
SMILES [?]:
c1ccc(cc1)c2cc(=[NH+]Cc3ccco3)c4cc(ccc4o2)Cl
InChi [?]:
InChI=1/C20H14ClNO2/c21-15-8-9-19-17(11-15)18(22-13-16-7-4-10-23-16)12-20(24-19)14-5-2-1-3-6-14/h1-12H,13H2/p+1
InChi Info:
AuxInfo=1/1/N:1,2,6,14,3,5,13,20,21,15,18,8,11,4,19,12,17,9,22,7,24,10,16,23/E:(2,3)(5,6)/rA:24nCCCCCCCCCN+CCCCCOCCCCCCOCl/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;w9;s10;s11;d12;s13;d14;s12s15;s9;s17;d18;s19;d20;d17s21;s7s22;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H15ClNO2+ |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -20.501 |
Area: | 542.069 |
Solvation: | -34.0528 |
Coulombic: | -5.11689 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 336.791 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 4.92 |
LogP (Chemaxon): | 5.28 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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