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Chemical ID: 4686402
Chemical ID:
4686402
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)C3c4cccn4CCN3C2=O
InChi [?]:
InChI=1/C14H12N2O/c17-14-11-5-2-1-4-10(11)13-12-6-3-7-15(12)8-9-16(13)14/h1-7,13H,8-9H2
InChi Info:
AuxInfo=1/0/N:1,2,10,6,3,9,11,13,14,5,4,8,7,16,12,15,17/rA:17cCCCCCCCCCCCNCCNCO/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;s8s11;s12;s13;s7s14;s4s15;d16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H12N2O |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.17133 |
Area: | 374.807 |
Solvation: | -2.19886 |
Coulombic: | -23.8025 |
Bond Count [?]
All: | 20 |
Single: | 14 |
Double: | 6 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 224.258 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 1.73 |
LogP (Chemaxon): | 1.61 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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