Chemical ID: 4944219

c1cc2c(cc1Br)c3ccnc(c3[nH]2)C4=NCCC4
Chemical ID:
4944219
Name [?]:
None
SMILES [?]:
c1cc2c(cc1Br)c3ccnc(c3[nH]2)C4=NCCC4
InChi [?]:
InChI=1/C15H12BrN3/c16-9-3-4-12-11(8-9)10-5-7-18-15(14(10)19-12)13-2-1-6-17-13/h3-5,7-8,19H,1-2,6H2
InChi Info:
AuxInfo=1/0/N:18,19,1,2,9,17,10,5,6,8,4,3,15,13,12,7,16,11,14/rA:19nCCCCCCBrCCCNCCNCNCCC/rB:s1;d2;s3;d4;d1s5;s6;s4;s8;d9;s10;d11;d8s12;s3s13;s12;d15;s16;s17;s15s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H12BrN3
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.01803
Area:439.717
Solvation:-1.9749
Coulombic:-22.2437
Bond Count [?]
All:22
Single:15
Double:7
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:314.18
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.19
LogP (Chemaxon):3.59

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Descriptor Annotations

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