Chemical ID: 4754739

Cc1ccc2nc(cn2c1)c3ccc(c(c3)C)Cl
Chemical ID:
4754739
Name [?]:
8-(4-chloro-3-methyl-phenyl)-4-methyl-6,9-diazabicyclo[4.3.0]nona-2,4,7,9-tetraene
SMILES [?]:
Cc1ccc2nc(cn2c1)c3ccc(c(c3)C)Cl
InChi [?]:
InChI=1/C15H13ClN2/c1-10-3-6-15-17-14(9-18(15)8-10)12-4-5-13(16)11(2)7-12/h3-9H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,17,3,12,13,4,16,10,8,2,15,11,14,7,5,18,6,9/rA:18nCCCCCNCCNCCCCCCCCCl/rB:s1;s2;d3;s4;d5;s6;d7;s5s8;d2s9;s7;s11;d12;s13;d14;d11s15;s15;s14;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H13ClN2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:9.41418
Area:439.14
Solvation:-1.56432
Coulombic:-12.9525
Bond Count [?]
All:20
Single:13
Double:7
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:256.73
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:3.93
LogP (Chemaxon):4.88

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