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Chemical ID: 7351200
Chemical ID:
7351200
Name [?]:
None
SMILES [?]:
COc1ccccc1C(=O)N2CCc3c(c4ccccc4[nH]3)C2
InChi [?]:
InChI=1/C19H18N2O2/c1-23-18-9-5-3-7-14(18)19(22)21-11-10-17-15(12-21)13-6-2-4-8-16(13)20-17/h2-9,20H,10-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,18,6,19,5,17,7,20,4,13,12,23,16,8,15,21,14,3,9,22,11,10,2/rA:23nCOCCCCCCCONCCCCCCCCCCNC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s9;s11;s12;s13;d14;s15;s16;d17;s18;d19;d16s20;s14s21;s11s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H18N2O2 |
All Atoms: | 41 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.02567 |
Area: | 489.028 |
Solvation: | -4.20003 |
Coulombic: | -35.7609 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 306.358 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.12 |
LogP (Chemaxon): | 2.66 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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