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Chemical ID: 4610238
Chemical ID:
4610238
Name [?]:
4-chloro-8-cyclopropyl-6,9-diazabicyclo[4.3.0]nona-2,4,7,9-tetraene
SMILES [?]:
c1cc2nc(cn2cc1Cl)C3CC3
InChi [?]:
InChI=1/C10H9ClN2/c11-8-3-4-10-12-9(7-1-2-7)6-13(10)5-8/h3-7H,1-2H2
InChi Info:
AuxInfo=1/0/N:12,13,1,2,8,6,11,9,5,3,10,4,7/E:(1,2)/rA:13nCCCNCCNCCClCCC/rB:d1;s2;d3;s4;d5;s3s6;s7;s1d8;s9;s5;s11;s11s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H9ClN2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.66098 |
Area: | 357.639 |
Solvation: | -1.27999 |
Coulombic: | -11.4873 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 192.645 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 1.98 |
LogP (Chemaxon): | 2.72 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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