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Chemical ID: 6441079
Chemical ID:
6441079
Name [?]:
8-(3,4-dichlorophenyl)-5-methyl-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraene
SMILES [?]:
Cc1cccn2c1nc(c2)c3ccc(c(c3)Cl)Cl
InChi [?]:
InChI=1/C14H10Cl2N2/c1-9-3-2-6-18-8-13(17-14(9)18)10-4-5-11(15)12(16)7-10/h2-8H,1H3
InChi Info:
AuxInfo=1/0/N:1,4,3,12,13,5,16,10,2,11,14,15,9,7,18,17,8,6/rA:18nCCCCCNCNCCCCCCCCClCl/rB:s1;d2;s3;d4;s5;s2s6;d7;s8;s6d9;s9;s11;d12;s13;d14;d11s15;s15;s14;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H10Cl2N2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.55662 |
Area: | 448.06 |
Solvation: | -1.64488 |
Coulombic: | -13.2073 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 277.148 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 4.33 |
LogP (Chemaxon): | 4.93 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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