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Chemical ID: 4909465
Chemical ID:
4909465
Name [?]:
None
SMILES [?]:
c1cc2c3c(c1)NC(=O)C4=C(N3CCC2)CCC4
InChi [?]:
InChI=1/C15H16N2O/c18-15-11-6-2-8-13(11)17-9-3-5-10-4-1-7-12(16-15)14(10)17/h1,4,7H,2-3,5-6,8-9H2,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,17,14,2,15,18,6,16,13,3,10,5,11,4,8,7,12,9/rA:18nCCCCCCNCOCCNCCCCCC/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;d10;s4s11;s12;s13;s3s14;s11;s16;s10s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H16N2O |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.78814 |
Area: | 386.756 |
Solvation: | -1.88077 |
Coulombic: | -27.0538 |
Bond Count [?]
All: | 21 |
Single: | 16 |
Double: | 5 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 240.3 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.9 |
LogP (Chemaxon): | 2.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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