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Chemical ID: 5081758
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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