Chemical ID: 6322675

c1cc(cc(c1)Br)C(=O)N2CCCCCC2
Chemical ID:
6322675
Name [?]:
azepan-1-yl-(3-bromophenyl)-methanone
SMILES [?]:
c1cc(cc(c1)Br)C(=O)N2CCCCCC2
InChi [?]:
InChI=1/C13H16BrNO/c14-12-7-5-6-11(10-12)13(16)15-8-3-1-2-4-9-15/h5-7,10H,1-4,8-9H2
InChi Info:
AuxInfo=1/0/N:13,14,12,15,1,2,6,11,16,4,3,5,8,7,10,9/E:(1,2)(3,4)(8,9)/rA:16nCCCCCCBrCONCCCCCC/rB:s1;d2;s3;d4;d1s5;s5;s3;d8;s8;s10;s11;s12;s13;s14;s10s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H16BrNO
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:8.61237
Area:400.923
Solvation:-1.41071
Coulombic:-19.0095
Bond Count [?]
All:17
Single:13
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:282.176
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.59
LogP (Chemaxon):3.1

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Descriptor Annotations

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