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Chemical ID: 7644046
Chemical ID:
7644046
Name [?]:
None
SMILES [?]:
c1ccc-2c(c1)CC3c4c2c5c(cc4CCN3C=O)OCO5
InChi [?]:
InChI=1/C18H15NO3/c20-9-19-6-5-12-8-15-18(22-10-21-15)17-13-4-2-1-3-11(13)7-14(19)16(12)17/h1-4,8-9,14H,5-7,10H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,15,16,7,13,18,21,5,14,4,8,12,9,10,11,17,19,20,22/rA:22cCCCCCCCCCCCCCCCCNCOOCO/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s4s9;d10;s11;d12;d9s13;s14;s15;s8s16;s17;d18;s12;s20;s11s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H15NO3 |
All Atoms: | 37 |
Heavy Atoms: | 22 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 7.34002 |
Area: | 440.811 |
Solvation: | -3.68026 |
Coulombic: | -32.3646 |
Bond Count [?]
All: | 26 |
Single: | 19 |
Double: | 7 |
Rotors: | 1 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.82 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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