Chemical ID: 7100451

Cc1cccn2c1nc(c2)c3ccc(c(c3)C)C
Chemical ID:
7100451
Name [?]:
8-(3,4-dimethylphenyl)-5-methyl-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraene
SMILES [?]:
Cc1cccn2c1nc(c2)c3ccc(c(c3)C)C
InChi [?]:
InChI=1/C16H16N2/c1-11-6-7-14(9-13(11)3)15-10-18-8-4-5-12(2)16(18)17-15/h4-10H,1-3H3
InChi Info:
AuxInfo=1/0/N:18,1,17,4,3,13,12,5,16,10,14,2,15,11,9,7,8,6/rA:18nCCCCCNCNCCCCCCCCCC/rB:s1;d2;s3;d4;s5;s2s6;d7;s8;s6d9;s9;s11;d12;s13;d14;d11s15;s15;s14;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H16N2
All Atoms:34
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:9.06768
Area:427.364
Solvation:-1.61643
Coulombic:-12.6688
Bond Count [?]
All:20
Single:13
Double:7
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:236.312
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:3.96
LogP (Chemaxon):4.83

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Descriptor Annotations

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