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Chemical ID: 6405182
Chemical ID:
6405182
Name [?]:
None
SMILES [?]:
CC1=Cc2c(ccc3c2non3)N(C1)C
InChi [?]:
InChI=1/C11H11N3O/c1-7-5-8-10(14(2)6-7)4-3-9-11(8)13-15-12-9/h3-5H,6H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,15,7,6,3,14,2,4,8,5,9,12,10,13,11/rA:15cCCCCCCCCCNONNCC/rB:s1;d2;s3;d4;s5;d6;s7;s4s8;d9;s10;d8s11;s5;s2s13;s13;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H11N3O |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.88481 |
Area: | 352.176 |
Solvation: | -1.91958 |
Coulombic: | -9.25711 |
Bond Count [?]
All: | 17 |
Single: | 12 |
Double: | 5 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 201.225 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 3.13 |
LogP (Chemaxon): | 2.35 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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