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Chemical ID: 4913083
Chemical ID:
4913083
Name [?]:
None
SMILES [?]:
CC1C2Cc3ccc(cc3C1(CCN2C)C)O
InChi [?]:
InChI=1/C15H21NO/c1-10-14-8-11-4-5-12(17)9-13(11)15(10,2)6-7-16(14)3/h4-5,9-10,14,17H,6-8H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,16,15,6,7,12,13,4,9,2,5,8,10,3,11,14,17/rA:17cCCCCCCCCCCCCCNCCO/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s2s10;s11;s12;s3s13;s14;s11;s8;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H21NO |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 4 |
ZAP Information [?]
Total: | 7.70011 |
Area: | 386.124 |
Solvation: | -1.953 |
Coulombic: | -22.0709 |
Bond Count [?]
All: | 19 |
Single: | 16 |
Double: | 3 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 231.333 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.49 |
LogP (Chemaxon): | 2.77 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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