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Chemical ID: 3963970
Chemical ID:
3963970
Name [?]:
None
SMILES [?]:
CC1C2Cc3ccc(cc3C1(CCN2CC=C)C)O
InChi [?]:
InChI=1/C17H23NO/c1-4-8-18-9-7-17(3)12(2)16(18)10-13-5-6-14(19)11-15(13)17/h4-6,11-12,16,19H,1,7-10H2,2-3H3
InChi Info:
AuxInfo=1/0/N:17,1,18,16,6,7,12,15,13,4,9,2,5,8,10,3,11,14,19/rA:19cCCCCCCCCCCCCCNCCCCO/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s2s10;s11;s12;s3s13;s14;s15;d16;s11;s8;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H23NO |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 4 |
ZAP Information [?]
Total: | 8.76079 |
Area: | 433.81 |
Solvation: | -2.08446 |
Coulombic: | -23.7328 |
Bond Count [?]
All: | 21 |
Single: | 17 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 257.371 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.11 |
LogP (Chemaxon): | 3.61 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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