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Chemical ID: 6761109
Chemical ID:
6761109
Name [?]:
6-chloro-2-phenyl-N-(tetrahydrofuran-2-ylmethyl)chromen-4-imine
SMILES [?]:
c1ccc(cc1)c2cc(=NCC3CCCO3)c4cc(ccc4o2)Cl
InChi [?]:
InChI=1/C20H18ClNO2/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/h1-3,5-6,8-9,11-12,16H,4,7,10,13H2
InChi Info:
AuxInfo=1/0/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:24cCCCCCCCCCNCCCCCOCCCCCCOCl/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;w9;s10;s11;s12;s13;s14;s12s15;s9;s17;d18;s19;d20;d17s21;s7s22;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H18ClNO2 |
All Atoms: | 42 |
Heavy Atoms: | 24 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.72676 |
Area: | 546.148 |
Solvation: | -3.92693 |
Coulombic: | -23.1094 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 339.815 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.82 |
LogP (Chemaxon): | 4.79 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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