Chemical ID: 6401443

c1cc(ccc1C(=O)N2CCCC2)Br
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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