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Chemical ID: 7225258
Chemical ID:
7225258
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c3c4n2C(=O)CC5C4N(CCC5)CC3
InChi [?]:
InChI=1/C17H18N2O/c20-15-10-11-4-3-8-18-9-7-13-12-5-1-2-6-14(12)19(15)17(13)16(11)18/h1-2,5-6,11,16H,3-4,7-10H2
InChi Info:
AuxInfo=1/0/N:1,2,17,18,6,3,20,16,19,12,13,5,7,4,10,14,8,15,9,11/rA:20cCCCCCCCCNCOCCCNCCCCC/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s9;d10;s10;s12;s8s13;s14;s15;s16;s13s17;s15;s7s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18N2O |
All Atoms: | 38 |
Heavy Atoms: | 20 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 7.97451 |
Area: | 402.441 |
Solvation: | -2.08652 |
Coulombic: | -20.4502 |
Bond Count [?]
All: | 24 |
Single: | 19 |
Double: | 5 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 266.338 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 1.53 |
LogP (Chemaxon): | 2.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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