Chemical ID: 4123899

c1cc(ccc1CN2CCOCC2)Br
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

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Descriptor Annotations

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