Chemical ID: 6901678

COc1ccc(cc1OC)c2cc(=Nc3ccc(cc3)O)c4cc(ccc4o2)Cl
Chemical ID:
6901678
Name [?]:
4-[6-chloro-2-(3,4-dimethoxyphenyl)-chromen-4-ylidene]aminophenol
SMILES [?]:
COc1ccc(cc1OC)c2cc(=Nc3ccc(cc3)O)c4cc(ccc4o2)Cl
InChi [?]:
InChI=1/C23H18ClNO4/c1-27-21-9-3-14(11-23(21)28-2)22-13-19(25-16-5-7-17(26)8-6-16)18-12-15(24)4-10-20(18)29-22/h3-13,26H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,5,25,16,20,17,19,4,26,7,23,12,6,24,15,18,22,13,27,3,11,8,29,14,21,2,9,28/E:(5,6)(7,8)/rA:29nCOCCCCCCOCCCCNCCCCCCOCCCCCCOCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;d11;s12;w13;s14;s15;d16;s17;d18;d15s19;s18;s13;s22;d23;s24;d25;d22s26;s11s27;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H18ClNO4
All Atoms:47
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:8.50299
Area:588.89
Solvation:-6.21927
Coulombic:-44.4735
Bond Count [?]
All:32
Single:21
Double:11
Rotors:4
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:407.846
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.07
LogP (Chemaxon):5.87

Name Annotations

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Descriptor Annotations

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