Chemical ID: 4217557

COc1ccc(cc1Br)CN2CCCCCCC2
Chemical ID:
4217557
Name [?]:
1-[(3-bromo-4-methoxy-phenyl)methyl]azocane
SMILES [?]:
COc1ccc(cc1Br)CN2CCCCCCC2
InChi [?]:
InChI=1/C15H22BrNO/c1-18-15-8-7-13(11-14(15)16)12-17-9-5-3-2-4-6-10-17/h7-8,11H,2-6,9-10,12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,15,14,16,13,17,5,4,12,18,7,10,6,8,3,9,11,2/E:(3,4)(5,6)(9,10)/rA:18nCOCCCCCCBrCNCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s6;s10;s11;s12;s13;s14;s15;s16;s11s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H22BrNO
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.88179
Area:449.3
Solvation:-2.35072
Coulombic:-13.9034
Bond Count [?]
All:19
Single:16
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:312.245
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.28
LogP (Chemaxon):3.99

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Descriptor Annotations

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