Chemical ID: 4610238

c1cc2nc(cn2cc1Cl)C3CC3
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

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Descriptor Annotations

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