Chemical ID: 6379004

CCCCCCC(=O)Nc1cccc(c1)Br
Chemical ID:
6379004
Name [?]:
N-(3-bromophenyl)heptanamide
SMILES [?]:
CCCCCCC(=O)Nc1cccc(c1)Br
InChi [?]:
InChI=1/C13H18BrNO/c1-2-3-4-5-9-13(16)15-12-8-6-7-11(14)10-12/h6-8,10H,2-5,9H2,1H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,5,12,13,11,6,15,14,10,7,16,9,8/rA:16nCCCCCCCONCCCCCCBr/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;d11;s12;d13;d10s14;s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H18BrNO
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:9.66354
Area:455.682
Solvation:-1.7285
Coulombic:-21.7486
Bond Count [?]
All:16
Single:12
Double:4
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:284.192
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.6
LogP (Chemaxon):4.38

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Descriptor Annotations

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