Chemical ID: 6760857

COc1cccc(c1)N=c2cc(oc3c2cc(cc3)Cl)c4ccccc4
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

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