Chemical ID: 7107783

CCC(CO)NCc1cccc(c1)Br
Chemical ID:
7107783
Name [?]:
2-[(3-bromophenyl)methylamino]butan-1-ol
SMILES [?]:
CCC(CO)NCc1cccc(c1)Br
InChi [?]:
InChI=1/C11H16BrNO/c1-2-11(8-14)13-7-9-4-3-5-10(12)6-9/h3-6,11,13-14H,2,7-8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,10,9,11,13,7,4,8,12,3,14,6,5/rA:14cCCCCONCCCCCCCBr/rB:s1;s2;s3;s4;s3;s6;s7;s8;d9;s10;d11;d8s12;s12;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H16BrNO
All Atoms:30
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:7.47012
Area:405.654
Solvation:-2.67122
Coulombic:-26.5674
Bond Count [?]
All:14
Single:11
Double:3
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:258.155
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:2.44
LogP (Chemaxon):2.8

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