Chemical ID: 7101625

CNCc1cccc(c1)Br
Chemical ID:
7101625
Name [?]:
N-[(3-bromophenyl)methyl]methanamine
SMILES [?]:
CNCc1cccc(c1)Br
InChi [?]:
InChI=1/C8H10BrN/c1-10-6-7-3-2-4-8(9)5-7/h2-5,10H,6H2,1H3
InChi Info:
AuxInfo=1/0/N:1,6,5,7,9,3,4,8,10,2/rA:10nCNCCCCCCCBr/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H10BrN
All Atoms:20
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:7.01886
Area:319.055
Solvation:-0.957519
Coulombic:-10.4106
Bond Count [?]
All:10
Single:7
Double:3
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:200.076
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:2.33
LogP (Chemaxon):2.36

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Experimental Annotations

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Descriptor Annotations

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