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Chemical ID: 5223932
Chemical ID:
5223932
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)CN3CCNC3=N2
InChi [?]:
InChI=1/C10H11N3/c1-2-4-9-8(3-1)7-13-6-5-11-10(13)12-9/h1-4H,5-7H2,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,10,9,7,5,4,12,11,13,8/rA:13nCCCCCCCNCCNCN/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;s10;s8s11;s4d12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H11N3 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.27496 |
Area: | 323.206 |
Solvation: | -1.80518 |
Coulombic: | -24.5993 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 173.215 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.57 |
LogP (Chemaxon): | 2.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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