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Chemical ID: 6401443
Chemical ID:
6401443
Name [?]:
(4-bromophenyl)-pyrrolidin-1-yl-methanone
SMILES [?]:
c1cc(ccc1C(=O)N2CCCC2)Br
InChi [?]:
InChI=1/C11H12BrNO/c12-10-5-3-9(4-6-10)11(14)13-7-1-2-8-13/h3-6H,1-2,7-8H2
InChi Info:
AuxInfo=1/0/N:11,12,1,5,2,4,10,13,6,3,7,14,9,8/E:(1,2)(3,4)(5,6)(7,8)/rA:14nCCCCCCCONCCCCBr/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;s11;s9s12;s3;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H12BrNO |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.72641 |
Area: | 371.717 |
Solvation: | -1.5665 |
Coulombic: | -18.3942 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 254.123 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.87 |
LogP (Chemaxon): | 2.31 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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