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Chemical ID: 7592672
Chemical ID:
7592672
Name [?]:
None
SMILES [?]:
CCCN1CCOC2C1CCc3c2cc(cc3)O
InChi [?]:
InChI=1/C15H21NO2/c1-2-7-16-8-9-18-15-13-10-12(17)5-3-11(13)4-6-14(15)16/h3,5,10,14-15,17H,2,4,6-9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,17,11,16,10,3,5,6,14,12,15,13,9,8,4,18,7/rA:18cCCCNCCOCCCCCCCCCCO/rB:s1;s2;s3;s4;s5;s6;s7;s4s8;s9;s10;s11;s8s12;d13;s14;d15;d12s16;s15;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H21NO2 |
All Atoms: | 39 |
Heavy Atoms: | 18 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 7.50471 |
Area: | 427.427 |
Solvation: | -3.18096 |
Coulombic: | -30.4418 |
Bond Count [?]
All: | 20 |
Single: | 17 |
Double: | 3 |
Rotors: | 2 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.09 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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