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Chemical ID: 4560430
Chemical ID:
4560430
Name [?]:
None
SMILES [?]:
Cc1cccc(c1)C2c3c(c4ccccc4[nH]3)CC(N2)C(=O)O
InChi [?]:
InChI=1/C19H18N2O2/c1-11-5-4-6-12(9-11)17-18-14(10-16(21-17)19(22)23)13-7-2-3-8-15(13)20-18/h2-9,16-17,20-21H,10H2,1H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,13,14,4,3,5,12,15,7,18,2,6,11,10,16,19,8,9,21,17,20,22,23/E:(22,23)/rA:23cCCCCCCCCCCCCCCCCNCCNCOO/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;s11;d12;s13;d14;d11s15;s9s16;s10;s18;s8s19;s19;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H18N2O2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 9.94079 |
Area: | 496.192 |
Solvation: | -2.46402 |
Coulombic: | -49.0659 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 306.358 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 2.96 |
LogP (Chemaxon): | 1.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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