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Chemical ID: 4814324
Chemical ID:
4814324
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)CCc3ccccc3N2C(=O)N
InChi [?]:
InChI=1/C15H14N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-8H,9-10H2,(H2,16,18)
InChi Info:
AuxInfo=1/1/N:1,11,2,12,6,10,3,13,7,8,5,9,4,14,16,18,15,17/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:18nCCCCCCCCCCCCCCNCON/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;d10;s11;d12;d9s13;s4s14;s15;d16;s16;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14N2O |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.08446 |
Area: | 392.233 |
Solvation: | -1.72138 |
Coulombic: | -36.0748 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 238.285 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 2.01 |
LogP (Chemaxon): | 2.98 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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