Chemical ID: 5081758

CC1c2ccccc2OC(=C1CN3CCOCC3)c4ccccc4
Chemical ID:
5081758
Name [?]:
4-[(4-methyl-2-phenyl-4H-chromen-3-yl)methyl]morpholine
SMILES [?]:
CC1c2ccccc2OC(=C1CN3CCOCC3)c4ccccc4
InChi [?]:
InChI=1/C21H23NO2/c1-16-18-9-5-6-10-20(18)24-21(17-7-3-2-4-8-17)19(16)15-22-11-13-23-14-12-22/h2-10,16H,11-15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,22,21,23,5,6,20,24,4,7,14,18,15,17,12,2,19,3,11,8,10,13,16,9/E:(3,4)(7,8)(11,12)(13,14)/rA:24cCCCCCCCCOCCCNCCOCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s2d10;s11;s12;s13;s14;s15;s16;s13s17;s10;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H23NO2
All Atoms:24
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:9.00009
Area:496.687
Solvation:-3.41709
Coulombic:-23.8951
Bond Count [?]
All:27
Single:20
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:321.413
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.56
LogP (Chemaxon):2.86

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Experimental Annotations

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Descriptor Annotations

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