Chemical ID: 5837878

c1cc(cc(c1)Br)NC(=O)CCCC(=O)O
Chemical ID:
5837878
Name [?]:
5-(3-bromophenyl)amino-5-oxo-pentanoic acid
SMILES [?]:
c1cc(cc(c1)Br)NC(=O)CCCC(=O)O
InChi [?]:
InChI=1/C11H12BrNO3/c12-8-3-1-4-9(7-8)13-10(14)5-2-6-11(15)16/h1,3-4,7H,2,5-6H2,(H,13,14)(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,12,6,2,11,13,4,5,3,9,14,7,8,10,15,16/E:(15,16)/rA:16nCCCCCCBrNCOCCCCOO/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s9;s11;s12;s13;d14;s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H12BrNO3
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.4767
Area:433.557
Solvation:-3.36222
Coulombic:-45.0242
Bond Count [?]
All:16
Single:11
Double:5
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:286.122
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:1.8
LogP (Chemaxon):2.35

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