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Chemical ID: 3992029
Chemical ID:
3992029
Name [?]:
None
SMILES [?]:
CCN1c2ccc(c3c2c(ccc3)C1=O)N
InChi [?]:
InChI=1/C13H12N2O/c1-2-15-11-7-6-10(14)8-4-3-5-9(12(8)11)13(15)16/h3-7H,2,14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,12,13,11,6,5,8,10,7,4,9,14,16,3,15/rA:16nCCNCCCCCCCCCCCON/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;d10;s11;s8d12;s3s10;d14;s7;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H12N2O |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.60751 |
Area: | 372.37 |
Solvation: | -1.70175 |
Coulombic: | -34.0685 |
Bond Count [?]
All: | 18 |
Single: | 12 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 212.247 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 1.98 |
LogP (Chemaxon): | 1.39 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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