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Chemical ID: 6760857
Chemical ID:
6760857
Name [?]:
6-chloro-N-(3-methoxyphenyl)-2-phenyl-chromen-4-imine
SMILES [?]:
COc1cccc(c1)N=c2cc(oc3c2cc(cc3)Cl)c4ccccc4
InChi [?]:
InChI=1/C22H16ClNO2/c1-25-18-9-5-8-17(13-18)24-20-14-22(15-6-3-2-4-7-15)26-21-11-10-16(23)12-19(20)21/h2-14H,1H3
InChi Info:
AuxInfo=1/0/N:1,24,23,25,5,22,26,6,4,18,19,16,8,11,21,17,7,3,15,10,14,12,20,9,2,13/E:(3,4)(6,7)/rA:26nCOCCCCCCNCCCOCCCCCCClCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;w9;s10;d11;s12;s13;s10s14;d15;s16;d17;d14s18;s17;s12;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H16ClNO2 |
All Atoms: | 42 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.0862 |
Area: | 570.993 |
Solvation: | -3.18862 |
Coulombic: | -23.6282 |
Bond Count [?]
All: | 29 |
Single: | 18 |
Double: | 11 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 361.821 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 5.83 |
LogP (Chemaxon): | 6.41 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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