Chemical ID: 7513471

CC1C2CCCN2CCN1Cc3ccc(c(c3)Br)F
Chemical ID:
7513471
Name [?]:
3-[(3-bromo-4-fluoro-phenyl)methyl]-2-methyl-3,6-diazabicyclo[4.3.0]nonane
SMILES [?]:
CC1C2CCCN2CCN1Cc3ccc(c(c3)Br)F
InChi [?]:
InChI=1/C15H20BrFN2/c1-11-15-3-2-6-18(15)7-8-19(11)10-12-4-5-14(17)13(16)9-12/h4-5,9,11,15H,2-3,6-8,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,5,4,13,14,6,8,9,17,11,2,12,16,15,3,18,19,7,10/rA:19cCCCCCCNCCNCCCCCCCBrF/rB:s1;s2;s3;s4;s5;s3s6;s7;s8;s2s9;s10;s11;s12;d13;s14;d15;d12s16;s16;s15;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H20BrFN2
All Atoms:39
Heavy Atoms:19
Chiral Atoms:None
ZAP Information [?]
Total:8.55021
Area:442.297
Solvation:-2.5072
Coulombic:-14.2965
Bond Count [?]
All:21
Single:18
Double:3
Rotors:2
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.38
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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