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Chemical ID: 4918232
Chemical ID:
4918232
Name [?]:
None
SMILES [?]:
CCOC(=O)C1=CCC2c3c(c4ccccc4[nH]3)CCN2C1=O
InChi [?]:
InChI=1/C18H18N2O3/c1-2-23-18(22)13-7-8-15-16-12(9-10-20(15)17(13)21)11-5-3-4-6-14(11)19-16/h3-7,15,19H,2,8-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,14,15,13,16,7,8,19,20,12,11,6,17,9,10,22,4,18,21,23,5,3/rA:23cCCOCOCCCCCCCCCCCCNCCNCO/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;d10;s11;s12;d13;s14;d15;d12s16;s10s17;s11;s19;s9s20;s6s21;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H18N2O3 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.17909 |
Area: | 491.867 |
Solvation: | -3.11758 |
Coulombic: | -47.8658 |
Bond Count [?]
All: | 26 |
Single: | 19 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 310.347 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 2.09 |
LogP (Chemaxon): | 1.96 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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