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Chemical ID: 4557961
Chemical ID:
4557961
Name [?]:
None
SMILES [?]:
CC1c2ccccc2C3(CCCC3)CN1
InChi [?]:
InChI=1/C14H19N/c1-11-12-6-2-3-7-13(12)14(10-15-11)8-4-5-9-14/h2-3,6-7,11,15H,4-5,8-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,5,6,11,12,4,7,10,13,14,2,3,8,9,15/E:(4,5)(8,9)/rA:15cCCCCCCCCCCCCCCN/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;s9s12;s9;s2s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H19N |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.06678 |
Area: | 359.933 |
Solvation: | -0.931551 |
Coulombic: | -11.1201 |
Bond Count [?]
All: | 17 |
Single: | 14 |
Double: | 3 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 201.307 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 3.2 |
LogP (Chemaxon): | 3.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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