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Chemical ID: 4920404
Chemical ID:
4920404
Name [?]:
None
SMILES [?]:
CC12CCC(=O)N1c3ccccc3N2
InChi [?]:
InChI=1/C11H12N2O/c1-11-7-6-10(14)13(11)9-5-3-2-4-8(9)12-11/h2-5,12H,6-7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,11,10,12,9,4,3,13,8,5,2,14,7,6/rA:14cCCCCCONCCCCCCN/rB:s1;s2;s3;s4;d5;s2s5;s7;s8;d9;s10;d11;d8s12;s2s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H12N2O |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.26413 |
Area: | 338.051 |
Solvation: | -2.18715 |
Coulombic: | -26.5642 |
Bond Count [?]
All: | 16 |
Single: | 12 |
Double: | 4 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 188.226 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.42 |
LogP (Chemaxon): | 1.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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