Chemical ID: 4168970

CN1c2ccccc2Oc3c1cc(nn3)Cl
Chemical ID:
4168970
Name [?]:
None
SMILES [?]:
CN1c2ccccc2Oc3c1cc(nn3)Cl
InChi [?]:
InChI=1/C11H8ClN3O/c1-15-7-4-2-3-5-9(7)16-11-8(15)6-10(12)13-14-11/h2-6H,1H3
InChi Info:
AuxInfo=1/0/N:1,5,6,4,7,12,3,11,8,13,10,16,14,15,2,9/rA:16nCNCCCCCCOCCCCNNCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s2s10;d11;s12;d13;d10s14;s13;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H8ClN3O
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.60523
Area:383.27
Solvation:-1.97653
Coulombic:-21.0708
Bond Count [?]
All:18
Single:12
Double:6
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:233.654
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.73
LogP (Chemaxon):1.87

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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