Chemical ID: 4263873

c1cc2nc3c(n2cc1Br)CCCC3
Chemical ID:
4263873
Name [?]:
None
SMILES [?]:
c1cc2nc3c(n2cc1Br)CCCC3
InChi [?]:
InChI=1/C11H11BrN2/c12-8-5-6-11-13-9-3-1-2-4-10(9)14(11)7-8/h5-7H,1-4H2
InChi Info:
AuxInfo=1/0/N:13,12,14,11,1,2,8,9,5,6,3,10,4,7/rA:14nCCCNCCNCCBrCCCC/rB:d1;s2;d3;s4;d5;s3s6;s7;s1d8;s9;s6;s11;s12;s5s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H11BrN2
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:7.67953
Area:355.885
Solvation:-1.21759
Coulombic:-11.1165
Bond Count [?]
All:16
Single:12
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:251.123
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:2.35
LogP (Chemaxon):2.91

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Descriptor Annotations

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