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Chemical ID: 5211824
Chemical ID:
5211824
Name [?]:
None
SMILES [?]:
c1cc2c(c3c1CCCN3)NC(=O)C4C2CCC4
InChi [?]:
InChI=1/C15H18N2O/c18-15-12-5-1-4-10(12)11-7-6-9-3-2-8-16-13(9)14(11)17-15/h6-7,10,12,16H,1-5,8H2,(H,17,18)
InChi Info:
AuxInfo=1/1/N:17,8,7,16,18,1,2,9,6,15,3,14,5,4,12,10,11,13/rA:18cCCCCCCCCCNNCOCCCCC/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s5s9;s4;s11;d12;s12;s3s14;s15;s16;s14s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H18N2O |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 7.88366 |
Area: | 397.121 |
Solvation: | -2.04437 |
Coulombic: | -31.9493 |
Bond Count [?]
All: | 21 |
Single: | 17 |
Double: | 4 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 242.316 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 1.83 |
LogP (Chemaxon): | 2.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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