Chemical ID: 6901613

COc1ccc(cc1)c2cc(=Nc3cccc(c3)O)c4cc(ccc4o2)Cl
Chemical ID:
6901613
Name [?]:
3-[6-chloro-2-(4-methoxyphenyl)-chromen-4-ylidene]aminophenol
SMILES [?]:
COc1ccc(cc1)c2cc(=Nc3cccc(c3)O)c4cc(ccc4o2)Cl
InChi [?]:
InChI=1/C22H16ClNO3/c1-26-18-8-5-14(6-9-18)22-13-20(24-16-3-2-4-17(25)12-16)19-11-15(23)7-10-21(19)27-22/h2-13,25H,1H3
InChi Info:
AuxInfo=1/0/N:1,15,14,16,5,7,23,4,8,24,21,18,10,6,22,13,17,3,20,11,25,9,27,12,19,2,26/E:(5,6)(8,9)/rA:27nCOCCCCCCCCCNCCCCCCOCCCCCCOCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s10;w11;s12;s13;d14;s15;d16;d13s17;s17;s11;s20;d21;s22;d23;d20s24;s9s25;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H16ClNO3
All Atoms:43
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:9.81634
Area:555.033
Solvation:-4.0595
Coulombic:-38.5091
Bond Count [?]
All:30
Single:19
Double:11
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:377.82
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.42
LogP (Chemaxon):6.13

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