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Chemical ID: 4122320
Chemical ID:
4122320
Name [?]:
N-(3-methoxypropyl)chroman-4-amine
SMILES [?]:
COCCCNC1CCOc2c1cccc2
InChi [?]:
InChI=1/C13H19NO2/c1-15-9-4-8-14-12-7-10-16-13-6-3-2-5-11(12)13/h2-3,5-6,12,14H,4,7-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,14,15,4,13,16,8,5,3,9,12,7,11,6,2,10/rA:16cCOCCCNCCCOCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s7s11;d12;s13;d14;d11s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H19NO2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.54337 |
Area: | 419.697 |
Solvation: | -3.94906 |
Coulombic: | -24.6866 |
Bond Count [?]
All: | 17 |
Single: | 14 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 221.296 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.87 |
LogP (Chemaxon): | 1.15 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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