Chemical ID: 6851747

c1ccc(cc1)COc2c(=O)c3ccccc3oc2c4ccc(cc4)Cl
Chemical ID:
6851747
Name [?]:
3-benzyloxy-2-(4-chlorophenyl)-chromen-4-one
SMILES [?]:
c1ccc(cc1)COc2c(=O)c3ccccc3oc2c4ccc(cc4)Cl
InChi [?]:
InChI=1/C22H15ClO3/c23-17-12-10-16(11-13-17)21-22(25-14-15-6-2-1-3-7-15)20(24)18-8-4-5-9-19(18)26-21/h1-13H,14H2
InChi Info:
AuxInfo=1/0/N:1,2,6,14,15,3,5,13,16,21,25,22,24,7,4,20,23,12,17,10,19,9,26,11,8,18/E:(2,3)(6,7)(10,11)(12,13)/rA:26nCCCCCCCOCCOCCCCCCOCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;d9s18;s19;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H15ClO3
All Atoms:41
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.8611
Area:554.026
Solvation:-2.98953
Coulombic:-30.191
Bond Count [?]
All:29
Single:18
Double:11
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:362.805
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:6.2
LogP (Chemaxon):5.66

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Descriptor Annotations

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