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Chemical ID: 4556273
Chemical ID:
4556273
Name [?]:
None
SMILES [?]:
Cc1ccc2n1ccn3c2c(c(c3C(=O)C)C)C
InChi [?]:
InChI=1/C15H16N2O/c1-9-5-6-13-15-11(3)10(2)14(12(4)18)17(15)8-7-16(9)13/h5-8H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,17,18,16,3,4,7,8,2,12,11,14,5,13,10,6,9,15/rA:18nCCCCCNCCNCCCCCOCCC/rB:s1;d2;s3;d4;s2s5;s6;d7;s8;s5s9;d10;s11;s9d12;s13;d14;s14;s12;s11;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H16N2O |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.71984 |
Area: | 417.264 |
Solvation: | -2.71175 |
Coulombic: | -17.6166 |
Bond Count [?]
All: | 20 |
Single: | 14 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 240.3 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 2.63 |
LogP (Chemaxon): | 2.42 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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