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Chemical ID: 4938655
Chemical ID:
4938655
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)C(=O)N3CC(CC3C(=O)N2CCCO)O
InChi [?]:
InChI=1/C15H18N2O4/c18-7-3-6-16-12-5-2-1-4-11(12)14(20)17-9-10(19)8-13(17)15(16)21/h1-2,4-5,10,13,18-19H,3,6-9H2
InChi Info:
AuxInfo=1/0/N:1,2,18,6,3,17,19,12,10,11,5,4,13,7,14,16,9,20,21,8,15/rA:21cCCCCCCCONCCCCCONCCCOO/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;s11;s9s12;s13;d14;s4s14;s16;s17;s18;s19;s11;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H18N2O4 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 6.87345 |
Area: | 462.912 |
Solvation: | -4.69936 |
Coulombic: | -66.9747 |
Bond Count [?]
All: | 23 |
Single: | 18 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 290.315 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | -0.34 |
LogP (Chemaxon): | -0.7 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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