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Chemical ID: 4123899
Chemical ID:
4123899
Name [?]:
4-[(4-bromophenyl)methyl]morpholine
SMILES [?]:
c1cc(ccc1CN2CCOCC2)Br
InChi [?]:
InChI=1/C11H14BrNO/c12-11-3-1-10(2-4-11)9-13-5-7-14-8-6-13/h1-4H,5-9H2
InChi Info:
AuxInfo=1/0/N:1,5,2,4,9,13,10,12,7,6,3,14,8,11/E:(1,2)(3,4)(5,6)(7,8)/rA:14nCCCCCCCNCCOCCBr/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;s11;s8s12;s3;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H14BrNO |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.09094 |
Area: | 378.115 |
Solvation: | -2.36193 |
Coulombic: | -14.472 |
Bond Count [?]
All: | 15 |
Single: | 12 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 256.139 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.17 |
LogP (Chemaxon): | 2.38 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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