Chemical ID: 7679123

c1cc(cc(c1)Br)N2CCCC2=O
Chemical ID:
7679123
Name [?]:
None
SMILES [?]:
c1cc(cc(c1)Br)N2CCCC2=O
InChi [?]:
InChI=1/C10H10BrNO/c11-8-3-1-4-9(7-8)12-6-2-5-10(12)13/h1,3-4,7H,2,5-6H2
InChi Info:
AuxInfo=1/0/N:1,10,6,2,11,9,4,5,3,12,7,8,13/rA:13nCCCCCCBrNCCCCO/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;s9;s10;s8s11;d12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H10BrNO
All Atoms:23
Heavy Atoms:13
Chiral Atoms:None
ZAP Information [?]
Total:6.99116
Area:350.072
Solvation:-1.76063
Coulombic:-15.8134
Bond Count [?]
All:14
Single:10
Double:4
Rotors:1
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:2.19
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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