Chemical ID: 4240958

CC1CCCCN1Cc2c(ccc3c2occ(c3=O)c4ccc(cc4)Cl)O
Chemical ID:
4240958
Name [?]:
3-(4-chlorophenyl)-7-hydroxy-8-[(2-methyl-1-piperidyl)methyl]chromen-4-one
SMILES [?]:
CC1CCCCN1Cc2c(ccc3c2occ(c3=O)c4ccc(cc4)Cl)O
InChi [?]:
InChI=1/C22H22ClNO3/c1-14-4-2-3-11-24(14)12-18-20(25)10-9-17-21(26)19(13-27-22(17)18)15-5-7-16(23)8-6-15/h5-10,13-14,25H,2-4,11-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,5,3,21,25,22,24,12,11,6,8,16,2,20,23,13,9,17,10,18,14,26,7,27,19,15/E:(5,6)(7,8)/rA:27cCCCCCCNCCCCCCCOCCCOCCCCCCClO/rB:s1;s2;s3;s4;s5;s2s6;s7;s8;s9;d10;s11;d12;d9s13;s14;s15;d16;s13s17;d18;s17;s20;d21;s22;d23;d20s24;s23;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H22ClNO3
All Atoms:27
Heavy Atoms:27
Chiral Atoms:2
ZAP Information [?]
Total:10.8815
Area:574.269
Solvation:-3.4752
Coulombic:-38.5978
Bond Count [?]
All:30
Single:22
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:383.868
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.83
LogP (Chemaxon):4.9

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